ChemSpider 2D Image | HELICIOSIDE B | C21H22O12

HELICIOSIDE B

  • Molecular FormulaC21H22O12
  • Average mass466.392 Da
  • Monoisotopic mass466.111115 Da
  • ChemSpider ID32697911

  • defined stereocentres - 7 of 7 defined stereocentres

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

(2R,3R)-2-(3,4-Dihydroxyphenyl)-3,7-dihydroxy-4-oxo-3,4-dihydro-2H-chromen-5-yl β-D-glucopyranoside [ACD/IUPAC Name]
(2R,3R)-2-(3,4-Dihydroxyphenyl)-3,7-dihydroxy-4-oxo-3,4-dihydro-2H-chromen-5-yl-β-D-glucopyranosid [German] [ACD/IUPAC Name]
4H-1-Benzopyran-4-one, 2-(3,4-dihydroxyphenyl)-5-(β-D-glucopyranosyloxy)-2,3-dihydro-3,7-dihydroxy-, (2R,3R)- [ACD/Index Name]
921223-23-6 [RN]
HELICIOSIDE B
β-D-Glucopyranoside de (2R,3R)-2-(3,4-dihydroxyphényl)-3,7-dihydroxy-4-oxo-3,4-dihydro-2H-chromén-5-yle [French] [ACD/IUPAC Name]
DIHYDROQUERCETIN GLUCOSIDE
UNII-6H7474G841

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

5XO13JR7AL [DBID]
UNII:5XO13JR7AL [DBID]
UNII-5XO13JR7AL [DBID]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.7±0.1 g/cm3
Boiling Point: 917.8±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 139.8±3.0 kJ/mol
Flash Point: 321.9±27.8 °C
Index of Refraction: 1.738
Molar Refractivity: 107.6±0.3 cm3
#H bond acceptors: 12
#H bond donors: 8
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 2
ACD/LogP: -1.10
ACD/LogD (pH 5.5): -1.28
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 4.72
ACD/LogD (pH 7.4): -1.84
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.31
Polar Surface Area: 207 Å2
Polarizability: 42.6±0.5 10-24cm3
Surface Tension: 106.2±3.0 dyne/cm
Molar Volume: 267.3±3.0 cm3

Click to predict properties on the Chemicalize site


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