Product Name

  • Name

    SODIUM GLUCOHEPTONATE

  • EINECS 235-849-8
  • CAS No. 13007-85-7
  • Density 1.6[at 20℃]
  • Solubility 564g/L
  • Melting Point
  • Formula C7H14O8Na
  • Boiling Point 727.8 °C at 760 mmHg
  • Molecular Weight 248.165
  • Flash Point 407.9 °C
  • Transport Information
  • Appearance white to yellow crystal powder
  • Safety
  • Risk Codes
  • Molecular Structure Molecular Structure of 13007-85-7 (SODIUM GLUCOHEPTONATE)
  • Hazard Symbols
  • Synonyms D-glycero-D-gulo-Heptonicacid, monosodium salt (8CI,9CI);Gluceptate sodium;Seqlene 190;SodiumD-glycero-D-guloheptanoate;Sodium a-glucoheptonate;
  • PSA 161.51000
  • LogP -5.46690

Synthetic route

methanol
67-56-1

methanol

sodium α-d-glucoheptonatehydrate
13007-85-7

sodium α-d-glucoheptonatehydrate

2,2-dimethoxy-propane
77-76-9

2,2-dimethoxy-propane

methyl 2,3:4,5:6,7-tri-O-isopropylidene-D-glycero-D-gulo-heptonate
1595285-44-1

methyl 2,3:4,5:6,7-tri-O-isopropylidene-D-glycero-D-gulo-heptonate

Conditions
ConditionsYield
With hydrogenchloride at 0℃; for 1h; Temperature; Reflux; Large scale;85%
...Expand
sodium α-d-glucoheptonatehydrate
13007-85-7

sodium α-d-glucoheptonatehydrate

2,2-dimethoxy-propane
77-76-9

2,2-dimethoxy-propane

methyl 2,3:4,5:6,7-tri-O-isopropylidene-D-glycero-D-gulo-heptonate
1595285-44-1

methyl 2,3:4,5:6,7-tri-O-isopropylidene-D-glycero-D-gulo-heptonate

Conditions
ConditionsYield
With hydrogenchloride In methanol; water for 1h; Reflux;54%
sodium α-d-glucoheptonatehydrate
13007-85-7

sodium α-d-glucoheptonatehydrate

2,2-dimethoxy-propane
77-76-9

2,2-dimethoxy-propane

C22H40O8

C22H40O8

Conditions
ConditionsYield
With hydrogenchloride Reflux;54%
sodium α-d-glucoheptonatehydrate
13007-85-7

sodium α-d-glucoheptonatehydrate

2,3:4,5-di-O-isopropylidene-D-glycero-D-gulo-heptitol

2,3:4,5-di-O-isopropylidene-D-glycero-D-gulo-heptitol

Conditions
ConditionsYield
Multi-step reaction with 3 steps
1: hydrogenchloride / water; methanol / 1 h / Reflux
2: sulfuric acid / water; methanol / 4.25 h / 20 °C
3: lithium aluminium tetrahydride / tetrahydrofuran / 0.5 h / -40 °C / Reflux
View Scheme
Multi-step reaction with 3 steps
1: hydrogenchloride / 1 h / 0 °C / Reflux; Large scale
2: toluene-4-sulfonic acid / methanol / 4 h / -10 °C / Large scale
3: sodium tetrahydroborate / tetrahydrofuran / 5 h / 0 °C / Large scale
View Scheme
sodium α-d-glucoheptonatehydrate
13007-85-7

sodium α-d-glucoheptonatehydrate

2,3:4,5-di-O-isopropylidene-L-glucitol

2,3:4,5-di-O-isopropylidene-L-glucitol

Conditions
ConditionsYield
Multi-step reaction with 4 steps
1: hydrogenchloride / water; methanol / 1 h / Reflux
2: sulfuric acid / water; methanol / 4.25 h / 20 °C
3: lithium aluminium tetrahydride / tetrahydrofuran / 0.5 h / -40 °C / Reflux
4: SiO2-supported NaIO4 / dichloromethane / 0.5 h
View Scheme
sodium α-d-glucoheptonatehydrate
13007-85-7

sodium α-d-glucoheptonatehydrate

L-glucose
921-60-8

L-glucose

Conditions
ConditionsYield
Multi-step reaction with 5 steps
1: hydrogenchloride / water; methanol / 1 h / Reflux
2: sulfuric acid / water; methanol / 4.25 h / 20 °C
3: lithium aluminium tetrahydride / tetrahydrofuran / 0.5 h / -40 °C / Reflux
4: SiO2-supported NaIO4 / dichloromethane / 0.5 h
5: Dowex® / water / 24 h
View Scheme
sodium α-d-glucoheptonatehydrate
13007-85-7

sodium α-d-glucoheptonatehydrate

methyl 2,3:4,5-di-O-isopropylidene-L-glucuronate
1595285-45-2

methyl 2,3:4,5-di-O-isopropylidene-L-glucuronate

Conditions
ConditionsYield
Multi-step reaction with 3 steps
1: hydrogenchloride / water; methanol / 1 h / Reflux
2: sulfuric acid / water; methanol / 4.25 h / 20 °C
3: SiO2-supported NaIO4 / dichloromethane / 0.5 h / 20 °C
View Scheme
sodium α-d-glucoheptonatehydrate
13007-85-7

sodium α-d-glucoheptonatehydrate

methyl 2,3:4,5-di-O-isopropylidene-D-glycero-D-gulo-heptonate
1595285-46-3

methyl 2,3:4,5-di-O-isopropylidene-D-glycero-D-gulo-heptonate

Conditions
ConditionsYield
Multi-step reaction with 2 steps
1: hydrogenchloride / water; methanol / 1 h / Reflux
2: sulfuric acid / water; methanol / 4.25 h / 20 °C
View Scheme
Multi-step reaction with 2 steps
1: hydrogenchloride / 1 h / 0 °C / Reflux; Large scale
2: toluene-4-sulfonic acid / methanol / 4 h / -10 °C / Large scale
View Scheme
(199)Re-perrhenate ion

(199)Re-perrhenate ion

sodium α-d-glucoheptonatehydrate
13007-85-7

sodium α-d-glucoheptonatehydrate

C14H24O19Re(1-)

C14H24O19Re(1-)

Conditions
ConditionsYield
With tin(ll) chloride In acetic acid at 20℃; for 0.5h; pH=2.5 - 7;
sodium α-d-glucoheptonatehydrate
13007-85-7

sodium α-d-glucoheptonatehydrate

(2S,3R,4S,5S)-6-hydroxy-2,3:4,5-bis(isopropylenedioxy)hexanal

(2S,3R,4S,5S)-6-hydroxy-2,3:4,5-bis(isopropylenedioxy)hexanal

Conditions
ConditionsYield
Multi-step reaction with 4 steps
1: hydrogenchloride / 1 h / 0 °C / Reflux; Large scale
2: toluene-4-sulfonic acid / methanol / 4 h / -10 °C / Large scale
3: sodium tetrahydroborate / tetrahydrofuran / 5 h / 0 °C / Large scale
4: sodium periodate; silica gel / dichloromethane / 1 h / Large scale
View Scheme
sodium α-d-glucoheptonatehydrate
13007-85-7

sodium α-d-glucoheptonatehydrate

L-(-)-glucose
54-17-1, 492-61-5, 492-62-6, 492-66-0, 530-25-6, 530-26-7, 530-27-8, 530-28-9, 552-76-1, 579-36-2, 643-69-6, 655-45-8, 2280-44-6, 3646-73-9, 7282-78-2, 7282-79-3, 7282-80-6, 7282-81-7, 7282-82-8, 7283-02-5, 7283-08-1, 7283-09-2, 7283-10-5, 7283-11-6, 7296-15-3, 7296-64-2, 7322-31-8, 10257-28-0, 12772-65-5, 12773-29-4, 12773-31-8, 12773-32-9, 12773-33-0, 12773-34-1, 19982-85-5, 28538-24-1, 32445-46-8, 32445-47-9, 32445-51-5, 32445-52-6, 34685-56-8, 34685-57-9, 35810-56-1, 39281-65-7, 39281-66-8, 39281-67-9, 39281-68-0, 39281-69-1, 39392-61-5, 39392-62-6, 39392-63-7, 39392-65-9, 39392-66-0, 39392-69-3, 40825-84-1, 40825-86-3, 40825-87-4, 40825-89-6, 42752-07-8, 42789-83-3, 46032-76-2, 54808-89-8, 66069-07-6, 120442-57-1, 120442-58-2, 120442-59-3, 120442-67-3, 131064-91-0, 131064-92-1, 131065-00-4, 131065-01-5, 131348-38-4

L-(-)-glucose

Conditions
ConditionsYield
Multi-step reaction with 5 steps
1: hydrogenchloride / 1 h / 0 °C / Reflux; Large scale
2: toluene-4-sulfonic acid / methanol / 4 h / -10 °C / Large scale
3: sodium tetrahydroborate / tetrahydrofuran / 5 h / 0 °C / Large scale
4: sodium periodate; silica gel / dichloromethane / 1 h / Large scale
5: Tween / water / 22 h
View Scheme
sodium α-d-glucoheptonatehydrate
13007-85-7

sodium α-d-glucoheptonatehydrate

A

C7H14O11(29)Si(2-)*Na(1+)

C7H14O11(29)Si(2-)*Na(1+)

B

C7H12O10(29)Si(2-)*Na(1+)

C7H12O10(29)Si(2-)*Na(1+)

C

C7H12O10(29)Si(2-)*Na(1+)

C7H12O10(29)Si(2-)*Na(1+)

D

C7H10O9(29)Si(2-)*Na(1+)

C7H10O9(29)Si(2-)*Na(1+)

Conditions
ConditionsYield
With silica; sodium hydroxide In water-d2 pH=12.3;
...Expand

D-glycero-D-gulo-Heptonicacid, sodium salt (1:1) Specification

The D-glycero-D-gulo-Heptonicacid, sodium salt (1:1), with CAS registry number 13007-85-7, has the systematic name of sodium (2R,3R,4S,5R,6R)-2,3,4,5,6,7-hexahydroxyheptanoate (non-preferred name). This chemical should be stored at the temperature of −20°C. Its classification code is Pharmaceutic aid. What's more, its EINECS is 235-849-8.

Physical properties of D-glycero-D-gulo-Heptonicacid, sodium salt (1:1): (1)ACD/LogP: -4.07; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): -6.79; (4)ACD/LogD (pH 7.4): -7.77; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 8; (10)#H bond donors: 7; (11)#Freely Rotating Bonds: 12; (12)Polar Surface Area: 92.68 Å2; (13)Flash Point: 407.9 °C; (14)Enthalpy of Vaporization: 121.34 kJ/mol; (15)Boiling Point: 727.8 °C at 760 mmHg; (16)Vapour Pressure: 1.87E-24 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: [Na+].[O-]C(=O)[C@H](O)[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO
(2)InChI: InChI=1/C7H14O8.Na/c8-1-2(9)3(10)4(11)5(12)6(13)7(14)15;/h2-6,8-13H,1H2,(H,14,15);/q;+1/p-1/t2-,3-,4+,5-,6-;/m1./s1
(3)InChIKey: FMYOMWCQJXWGEN-KXDNYHJRBW
(4)Std. InChI: InChI=1S/C7H14O8.Na/c8-1-2(9)3(10)4(11)5(12)6(13)7(14)15;/h2-6,8-13H,1H2,(H,14,15);/q;+1/p-1/t2-,3-,4+,5-,6-;/m1./s1
(5)Std. InChIKey: FMYOMWCQJXWGEN-WYRLRVFGSA-M

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