D-Glucopyranoside, methyl, octadecanoate (2:3) supplier

Name
METHYL GLUCOSIDE SESQUISTEARATE
EINECS 273-049-0
CAS No. 68936-95-8
Density
Solubility
Melting Point
Formula C₆₈H₁₃₃O₁₈^-3
Boiling Point 359.4 °C at 760 mmHg
Molecular Weight 1238.77282
Flash Point 162.4 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Grillocose PS;GLUCO SS;Glucate SS;Methyl glucoside sesquistearate;D-Glucopyranoside,methyl,octadecanoate (2:3);Tego Care PS;(2R,3R,4S,5R)-2-(hydroxymethyl)-6-methoxy-oxane-3,4,5-triol; octadecanoate;Methyl glucose sesquistearate;
PSA 319.15000
LogP 9.85880

D-Glucopyranoside, methyl, octadecanoate (2:3) Specification

The D-Glucopyranoside, methyl, octadecanoate (2:3), also known as Methyl glucose sesquistearate, is an organic compound with the formula C₆₈H₁₃₃O₁₈^-3. Its EINECS registry number is 273-049-0. With the CAS registry number 68936-95-8, its IUPAC name is (2R,3S,4S,5R)-2-(hydroxymethyl)-6-methoxyoxane-3,4,5-triol; octadecanoate.

Physical properties of D-Glucopyranoside, methyl, octadecanoate (2:3): (1)ACD/LogP: 8.22; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 7.42; (4)ACD/LogD (pH 7.4): 5.63; (5)ACD/BCF (pH 5.5): 165268.91; (6)ACD/BCF (pH 7.4): 2651.33; (7)ACD/KOC (pH 5.5): 112327.87; (8)ACD/KOC (pH 7.4): 1802.02; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 16; (12)Flash Point: 162.4 °C; (13)Enthalpy of Vaporization: 63.84 kJ/mol; (14)Boiling Point: 359.4 °C at 760 mmHg; (15)Vapour Pressure: 8.58E-06 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CCCCCCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCCCCCC(=O)[O-].COC1C(C(C(C(O1)CO)O)O)O.COC1C(C(C(C(O1)CO)O)O)O
(2)Isomeric SMILES: CCCCCCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCCCCCC(=O)[O-].COC1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O.COC1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O
(3)InChI: InChI=1S/3C18H36O2.2C7H14O6/c3*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;2*1-12-7-6(11)5(10)4(9)3(2-8)13-7/h3*2-17H2,1H3,(H,19,20);2*3-11H,2H2,1H3/p-3/t;;;2*3-,4-,5+,6-,7?/m...11/s1
(4)InChIKey: YFNDWXFUVJDXDA-RECQOEMFSA-K

Product Name

METHYL GLUCOSIDE SESQUISTEARATE

D-Glucopyranoside, methyl, octadecanoate (2:3) Specification

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