ChemSpider 2D Image | Herbacetin 3,8-O-diglucoside | C27H30O17

Herbacetin 3,8-O-diglucoside

  • Molecular FormulaC27H30O17
  • Average mass626.517 Da
  • Monoisotopic mass626.148315 Da
  • ChemSpider ID4590597

  • defined stereocentres - 10 of 10 defined stereocentres

More details:

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

3-(β-D-Glucopyranosyloxy)-5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-8-yl β-D-glucopyranoside [ACD/IUPAC Name]
3-(β-D-Glucopyranosyloxy)-5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-8-yl-β-D-glucopyranosid [German] [ACD/IUPAC Name]
4H-1-Benzopyran-4-one, 3,8-bis(β-D-glucopyranosyloxy)-5,7-dihydroxy-2-(4-hydroxyphenyl)- [ACD/Index Name]
99224-12-1 [RN]
Herbacetin 3,8-O-diglucoside
HERBACETIN-3,8-DIGLUCOPYRANOSIDE
β-D-Glucopyranoside de 3-(β-D-glucopyranosyloxy)-5,7-dihydroxy-2-(4-hydroxyphényl)-4-oxo-4H-chromén-8-yle [French] [ACD/IUPAC Name]
Linocinamarin

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

Density: 1.9±0.1 g/cm3
Boiling Point: 1030.4±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 157.8±3.0 kJ/mol
Flash Point: 339.7±27.8 °C
Index of Refraction: 1.785
Molar Refractivity: 139.7±0.4 cm3
#H bond acceptors: 17
#H bond donors: 11
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 3
ACD/LogP: -1.44
ACD/LogD (pH 5.5): -1.96
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.55
ACD/LogD (pH 7.4): -3.93
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 286 Å2
Polarizability: 55.4±0.5 10-24cm3
Surface Tension: 137.6±5.0 dyne/cm
Molar Volume: 331.4±5.0 cm3

Click to predict properties on the Chemicalize site


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