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Search term: DLRVVLDZNNYCBX-XPGIIWREBD
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Inherent Properties, Identifiers and References
ChemSpider ID: 21864902
Empirical Formula: C12H22O11
Molecular Weight: 342.3
Nominal Mass: 342 Da
Average Mass: 342.2965 Da
Monoisotopic Mass: 342.116212 Da
Systematic Name: (3R,4S,5S,6R)-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymet​hyl)tetrahydropyran-2-yl]oxymethyl]tetrahydropyran-2,3,4,5-tetrol​
SMILES: C(C1C(C(C(C(O1)OCC2C(C(C(C(O2)O)O)O)O)O)O)O)O
InChI: InChI=1/C12H22O11/c13-1-3-5(14)8(17)10(19)12(23-3)21-2-4-6(15)7(1​6)9(18)11(20)22-4/h3-20H,1-2H2/t3-,4-,5-,6-,7+,8+,9-,10-,11u,12-/​m1/s1
InChIKey: DLRVVLDZNNYCBX-XPGIIWREBD
Std. InChI: InChI=1S/C12H22O11/c13-1-3-5(14)8(17)10(19)12(23-3)21-2-4-6(15)7(​16)9(18)11(20)22-4/h3-20H,1-2H2/t3-,4-,5-,6-,7+,8+,9-,10-,11?,12-​/m1/s1
Std. InChIKey: DLRVVLDZNNYCBX-CQUJWQHSSA-N
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Names and Synonyms

Validated by Experts, Validated by Users, Non-Validated, Removed by Users, Redirected by Users, Redirect Approved by Experts

554-91-6 [RN]

6-O-beta-​D-glucopy​ranosyl-D​-glucose

beta-D-gl​ucopyrano​syl-(1->6​)-D-gluco​se

gentiobio​se [Wiki]

ACD/LogP: # of Rule of 5 Violations: 2
ACD/LogD (pH 5.5): ACD/LogD (pH 7.4):
ACD/BCF (pH 5.5): ACD/BCF (pH 7.4):
ACD/KOC (pH 5.5): ACD/KOC (pH 7.4):
#H bond acceptors: 11 #H bond donors: 8
#Freely Rotating Bonds: 12 Polar Surface Area: 189.53 Å2
Index of Refraction: 1.652 Molar Refractivity: 70.8 cm3
Molar Volume: 193.6 cm3 Polarizability: 28.06 10-24cm3
Surface Tension: 110.8 dyne/cm Density: 1.76 g/cm3
Flash Point: 354.6 °C Enthalpy of Vaporization: 111.6 kJ/mol
Boiling Point: 662.8 °C at 760 mmHg Vapour Pressure: 2.18E-20 mmHg at 25°C