ChemSpider 2D Image | 3-Hydroxy-4-[5-hydroxy-8,8-dimethyl-3-(3-methyl-2-buten-1-yl)-4-oxo-4H,8H-pyrano[2,3-f]chromen-2-yl]phenyl beta-D-glucopyranoside | C31H34O11

3-Hydroxy-4-[5-hydroxy-8,8-dimethyl-3-(3-methyl-2-buten-1-yl)-4-oxo-4H,8H-pyrano[2,3-f]chromen-2-yl]phenyl β-D-glucopyranoside

  • Molecular FormulaC31H34O11
  • Average mass582.595 Da
  • Monoisotopic mass582.210083 Da
  • ChemSpider ID4587171

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

3-Hydroxy-4-[5-hydroxy-8,8-dimethyl-3-(3-methyl-2-buten-1-yl)-4-oxo-4H,8H-pyrano[2,3-f]chromen-2-yl]phenyl β-D-glucopyranoside [ACD/IUPAC Name]
3-Hydroxy-4-[5-hydroxy-8,8-dimethyl-3-(3-methyl-2-buten-1-yl)-4-oxo-4H,8H-pyrano[2,3-f]chromen-2-yl]phenyl-β-D-glucopyranosid [German] [ACD/IUPAC Name]
4H,8H-Benzo[1,2-b:3,4-b']dipyran-4-one, 2-[4-(β-D-glucopyranosyloxy)-2-hydroxyphenyl]-5-hydroxy-8,8-dimethyl-3-(3-methyl-2-buten-1-yl)- [ACD/Index Name]
β-D-Glucopyranoside de 3-hydroxy-4-[5-hydroxy-8,8-diméthyl-3-(3-méthyl-2-butén-1-yl)-4-oxo-4H,8H-pyrano[2,3-f]chromén-2-yl]phényle [French] [ACD/IUPAC Name]
4H,8H-Benzo(1,2-b:3,4-b')dipyran-4-one, 4'-β-D-glucoside, 2-(2,4-dihydroxyphenyl)-5-hydroxy-8,8-dimethyl-3-(3-methyl-2-butenyl)-
Morusin-4'-β-D-glucoside

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

AIDS071508 [DBID]
AIDS-071508 [DBID]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 835.3±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.2 mmHg at 25°C
Enthalpy of Vaporization: 127.2±3.0 kJ/mol
Flash Point: 272.1±27.8 °C
Index of Refraction: 1.647
Molar Refractivity: 149.5±0.3 cm3
#H bond acceptors: 11
#H bond donors: 6
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 3
ACD/LogP: 4.30
ACD/LogD (pH 5.5): 3.21
ACD/BCF (pH 5.5): 159.15
ACD/KOC (pH 5.5): 1279.46
ACD/LogD (pH 7.4): 2.34
ACD/BCF (pH 7.4): 21.29
ACD/KOC (pH 7.4): 171.16
Polar Surface Area: 175 Å2
Polarizability: 59.3±0.5 10-24cm3
Surface Tension: 64.6±3.0 dyne/cm
Molar Volume: 411.3±3.0 cm3

Click to predict properties on the Chemicalize site


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