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Search term: WQKLGQXWHKQTPO-UXRZSMILBT
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Inherent Properties, Identifiers and References
ChemSpider ID: 56014
Empirical Formula: C31H70O18
Molecular Weight: 730.8767
Nominal Mass: 730 Da
Average Mass: 730.8767 Da
Monoisotopic Mass: 730.456215 Da
Systematic Name: (2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-methoxy-tetrahydropyran-3,4,​5-triol; 2-(2-hydroxypropoxy)propan-1-ol
SMILES: O[C@@H]1[C@@H](O)[C@H](O)[C@H](O[C@H]1OC)CO.OCC(OCC(O)C)C.OCC(OCC​(O)C)C.OCC(OCC(O)C)C.OCC(OCC(O)C)C
InChI: InChI=1/C7H14O6.4C6H14O3/c1-12-7-6(11)5(10)4(9)3(2-8)13-7;4*1-5(8​)4-9-6(2)3-7/h3-11H,2H2,1H3;4*5-8H,3-4H2,1-2H3/t3-,4-,5+,6-,7-;;;​;/m1..../s1
InChIKey: WQKLGQXWHKQTPO-UXRZSMILBT
Std. InChI: InChI=1S/C7H14O6.4C6H14O3/c1-12-7-6(11)5(10)4(9)3(2-8)13-7;4*1-5(​8)4-9-6(2)3-7/h3-11H,2H2,1H3;4*5-8H,3-4H2,1-2H3/t3-,4-,5+,6-,7-;;​;;/m1..../s1
Std. InChIKey: WQKLGQXWHKQTPO-UXRZSMILSA-N
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61849-72-7 [RN]

Methyl gl​ucoside p​ropoxylate

Poly(oxy(​methyl-1,​2-ethaned​iyl)), al​pha-hydro​-omega-hy​droxy-, e​ther with​ methyl b​eta-D-glu​copyranos​ide (4:1)

Poly(oxy(​methyl-1,​2-ethaned​iyl)), al​pha-hydro​-omega-hy​droxy-, e​ther with​ methylbe​ta-D-gluc​opyranosi​de (4:1)

Polypropy​lene glyc​ol beta-m​ethyl glu​coside et​her (4:1)

ACD/LogP: -2.69 # of Rule of 5 Violations: 0
ACD/LogD (pH 5.5): -2.69 ACD/LogD (pH 7.4): -2.69
ACD/BCF (pH 5.5): 1 ACD/BCF (pH 7.4): 1
ACD/KOC (pH 5.5): 1 ACD/KOC (pH 7.4): 1
#H bond acceptors: 6 #H bond donors: 4
#Freely Rotating Bonds: 6 Polar Surface Area: 55.38 Å2
Index of Refraction: Molar Refractivity: cm3
Molar Volume: cm3 Polarizability: 10-24cm3
Surface Tension: dyne/cm Density: g/cm3
Flash Point: 189.1 °C Enthalpy of Vaporization: 73.83 kJ/mol
Boiling Point: 389.1 °C at 760 mmHg Vapour Pressure: 1.15E-07 mmHg at 25°C