D-manno-2-Heptulose supplier

Name
D-MANNOHEPTULOSE
EINECS 222-795-5
CAS No. 3615-44-9
Article Data13
CAS DataBase
Density 1.645 g/cm³
Solubility
Melting Point 151 ºC
Formula C₇H₁₄O₇
Boiling Point 628 °C at 760 mmHg
Molecular Weight 210.184
Flash Point 347.6 °C
Transport Information
Appearance
Safety 24/25
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms D-manno-Heptulose(7CI,8CI);(+)-Mannoheptulose;D-Mannoheptulose;NSC 226836;
PSA 130.61000
LogP -3.85890

Synthetic route

: 625-48-9
2-nitro-1-ethanol

: 10323-20-3
D-Arabinose

: 124-41-4
sodium methylate

A: 3615-44-9
D-mannoheptulose

B: 5349-37-1
(3R,4S,5R,6R)-1,3,4,5,6,7-Hexahydroxy-heptan-2-one

Conditions

Conditions	Yield
Behandeln des Reaktionsprodukts mit wss.Schwefelsaeure;

...Expand

: 625-48-9
2-nitro-1-ethanol

: 10323-20-3
D-Arabinose

A: 3615-44-9
D-mannoheptulose

B: 5349-37-1
(3R,4S,5R,6R)-1,3,4,5,6,7-Hexahydroxy-heptan-2-one

Conditions

Conditions	Yield
With methanol; sodium methylate und Behandeln des Reaktionsprodukts mit wss.Schwefelsaeure;

...Expand

: 1883-14-3, 1949-75-3, 1949-76-4, 1961-73-5, 3146-50-7, 4305-74-2, 5328-64-3, 7011-02-1, 7011-04-3, 7634-39-1, 10589-31-8, 20585-65-3, 20585-67-5, 22224-55-1, 22617-40-9, 23102-92-3, 23102-93-4, 23102-94-5, 54676-20-9, 61091-67-6, 61091-68-7, 61091-69-8, 61091-70-1, 62475-58-5, 71927-65-6, 77842-58-1, 77842-59-2, 77842-60-5, 84142-51-8, 94667-85-3
D-glycero-D-galactoheptose

: 3615-44-9
D-mannoheptulose

Conditions

Conditions	Yield
With pyridine

: C7H14O7

: 3615-44-9
D-mannoheptulose

Conditions

Conditions	Yield
With sulfuric acid; water at 60℃; for 12h;	0.53 g

: 67-56-1
methanol

: 3615-44-9
D-mannoheptulose

: 101629-28-1
methyl α-D-manno-heptulopyranoside

Conditions

Conditions	Yield
With hydrogenchloride at 25℃; for 17h;	95%
With hydrogenchloride

: 3615-44-9
D-mannoheptulose

: 67-64-1
acetone

: 101561-45-9, 101561-46-0
1,2:3,4:6,7-tri-O-isopropylidene-D-manno-heptulofuranose

Conditions

Conditions	Yield
With sulfuric acid; copper(II) sulfate at 25℃; for 24h;	56%

: 110-86-1
pyridine

: 3615-44-9
D-mannoheptulose

: 108-24-7
acetic anhydride

A: 66904-33-4
Hexa-O-acetyl-α-D-manno-[2]heptulopyranose

B: O1,O3,O4,O5,O7-Pentaacetyl-D-manno-[2]heptulose

...Expand

: 32852-07-6
L-manno-1,3,4,5,6,7-Hexahydroxy-heptan-2-on

: 3615-44-9
D-mannoheptulose

: 654-29-5, 3019-74-7, 3343-94-0, 3615-44-9, 4297-17-0, 5349-37-1, 7101-28-2, 13403-16-2, 15820-03-8, 22224-53-9, 22224-54-0, 29325-35-7, 31297-62-8, 32852-07-6, 79465-26-2, 98524-02-8
DL-manno-1,3,4,5,6,7-Hexahydroxy-heptan-2-on

Conditions

Conditions	Yield
With ethanol

: 3615-44-9
D-mannoheptulose

A: 488-38-0
volemitol

B: 527-06-0
perseitol

Conditions

Conditions	Yield
With sodium amalgam

: 3615-44-9
D-mannoheptulose

: 7739-21-1
2,7-anhydro-manno-2-heptulopyranose

Conditions

Conditions	Yield
With sulfuric acid

: 3615-44-9
D-mannoheptulose

: 108-24-7
acetic anhydride

A: 66904-33-4
Hexa-O-acetyl-α-D-manno-[2]heptulopyranose

B: O1,O3,O4,O5,O7-Pentaacetyl-D-manno-[2]heptulose

Conditions

Conditions	Yield
With pyridine

...Expand

: 3615-44-9
D-mannoheptulose

: 108-24-7
acetic anhydride

: O1,O3,O4,O5,O7-Pentaacetyl-D-manno-[2]heptulose

Conditions

Conditions	Yield
With pyridine

: 3615-44-9
D-mannoheptulose

: 7664-93-9
sulfuric acid

2,7-anhydro-β-D-manno-<2>heptulopyranose: 2,7-anhydro-β-D-manno-<2>heptulopyranose

: 3615-44-9
D-mannoheptulose

: 7732-18-5
water

: periodic acid

A: 50-00-0
formaldehyd

B: 64-18-6
formic acid

C: 15719-64-9, 15719-76-3, 97762-63-5
methylammonium carbonate

Conditions

Conditions	Yield
at 20℃; zeitlicher Verlauf;

...Expand

: 3615-44-9
D-mannoheptulose

sodium amalgam: sodium amalgam

A: 488-38-0
volemitol

B d-perseitol: d-perseitol

...Expand

: 3615-44-9
D-mannoheptulose

A: 488-38-0
volemitol

B perseitol: perseitol

Conditions

Conditions	Yield
With sodium amalgam

: 3615-44-9
D-mannoheptulose

: 101561-41-5
methyl α-D-manno-heptuloside-7-diphenylphosphate

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: 95 percent / HCl / 17 h / 25 °C 2: pyridine / 17 h / 25 °C / 2.2 eqv. phosphorylating reagent View Scheme

: 3615-44-9
D-mannoheptulose

: 101561-44-8
D-manno-heptulose 7-phosphate, disodium salt

Conditions

Conditions	Yield
Multi-step reaction with 4 steps 1: 95 percent / HCl / 17 h / 25 °C 2: pyridine / 17 h / 25 °C / 2.2 eqv. phosphorylating reagent 3: 78 percent / hydrogen / PtO2 / methanol / 16 h / 25 °C 4: 62 percent / 0.33percent aq. H2SO4 / 0.5 h / 100 °C View Scheme

: 3615-44-9
D-mannoheptulose

: 101561-43-7
methyl α-D-manno-heptuloside 7-phosphate disodium salt

Conditions

Conditions	Yield
Multi-step reaction with 3 steps 1: 95 percent / HCl / 17 h / 25 °C 2: pyridine / 17 h / 25 °C / 2.2 eqv. phosphorylating reagent 3: 78 percent / hydrogen / PtO2 / methanol / 16 h / 25 °C View Scheme

: 3615-44-9
D-mannoheptulose

: methyl α-D-manno-heptuloside 1,7-bis(diphenyl phosphate)

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: 95 percent / HCl / 17 h / 25 °C 2: 57 percent / pyridine / 17 h / 25 °C / 2.2 eqv. phosphorylating reagent View Scheme

D-manno-2-Heptulose Specification

The D-manno-2-Heptulose, with the CAS registry number 3615-44-9, is also known as (+)-Mannoheptulose. It belongs to the product category of Carbohydrates. Its EINECS number is 222-795-5. This chemical's molecular formula is C₇H₁₄O₇ and molecular weight is 210.18. What's more, its systematic name is D-manno-hept-2-ulose. It is a hexokinase inhibitor. It is a heptose, a monosaccharide with seven carbon atoms. By blocking the enzyme hexokinase, it prevents glucose phosphorylation.

Physical properties of D-manno-2-Heptulose are: (1)ACD/LogP: -2.48; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): -2.47; (4)ACD/BCF (pH 5.5): 1; (5)ACD/KOC (pH 5.5): 1.07; (6)#H bond acceptors: 7; (7)#H bond donors: 6; (8)#Freely Rotating Bonds: 12; (9)Polar Surface Area: 72.45 Å²; (10)Index of Refraction: 1.597; (11)Molar Refractivity: 43.55 cm³; (12)Molar Volume: 127.7 cm³; (13)Polarizability: 17.26×10^-24cm³; (14)Surface Tension: 101.6 dyne/cm; (15)Density: 1.645 g/cm³; (16)Flash Point: 347.6 °C; (17)Enthalpy of Vaporization: 106.52 kJ/mol; (18)Boiling Point: 628 °C at 760 mmHg; (19)Vapour Pressure: 2.08E-18 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C([C@@H](O)[C@@H](O)[C@H](O)[C@H](O)CO)CO
(2)InChI: InChI=1S/C7H14O7/c8-1-3(10)5(12)7(14)6(13)4(11)2-9/h3,5-10,12-14H,1-2H2/t3-,5-,6-,7+/m1/s1
(3)InChIKey: HSNZZMHEPUFJNZ-QMTIVRBISA-N

Product Name

D-MANNOHEPTULOSE

Synthetic route

D-manno-2-Heptulose Specification

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