D-Glucitol,1,4-anhydro- supplier

Name
1,4-ANHYDRO-D-GLUCITOL
EINECS 248-391-9
CAS No. 27299-12-3
Article Data75
CAS DataBase
Density 1.573 g/cm³
Solubility
Melting Point 112-113°C
Formula C₆H₁₂O₅
Boiling Point 442.547 °C at 760 mmHg
Molecular Weight 164.158
Flash Point 221.445 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Arlitan(6CI);Glucitol, 1,4-anhydro-, D- (8CI);1,4-Anhydro-D-glucitol;1,4-Anhydro-D-sorbitol;1,4-Anhydroglucitol;1,4-Sorbitan;D-glucitol, 1,4-anhydro-;
PSA 90.15000
LogP -2.53980

D-Glucitol,1,4-anhydro- Specification

The D-Glucitol,1,4-anhydro-, with the CAS registry number 27299-12-3 and EINECS registry number 248-391-9, has the systematic name of 1,4-anhydro-D-glucitol. It is a kind of useful intermediate in prostaglandin synthesis.. And the molecular formula of the chemical is C₆H₁₂O₅.

The characteristics of D-Glucitol,1,4-anhydro- are as followings: (1)ACD/LogP: -2.45; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -2; (4)ACD/LogD (pH 7.4): -2; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 2; (8)ACD/KOC (pH 7.4): 2; (9)#H bond acceptors: 5; (10)#H bond donors: 4; (11)#Freely Rotating Bonds: 6; (12)Polar Surface Area: 90.15 Å²; (13)Index of Refraction: 1.597; (14)Molar Refractivity: 35.535 cm³; (15)Molar Volume: 104.348 cm³; (16)Polarizability: 14.087×10^-24cm³; (17)Surface Tension: 89.474 dyne/cm; (18)Density: 1.573 g/cm³; (19)Flash Point: 221.445 °C; (20)Enthalpy of Vaporization: 80.791 kJ/mol; (21)Boiling Point: 442.547 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: O[C@@H]([C@H]1OC[C@H](O)[C@H]1O)CO
(2)InChI: InChI=1/C6H12O5/c7-1-3(8)6-5(10)4(9)2-11-6/h3-10H,1-2H2/t3-,4+,5-,6-/m1/s1
(3)InChIKey: JNYAEWCLZODPBN-JGWLITMVBM

Product Name

1,4-ANHYDRO-D-GLUCITOL

D-Glucitol,1,4-anhydro- Specification

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