ChemSpider 2D Image | 1-O-{[(6aR,10aR)-1-Hydroxy-6,6-dimethyl-3-pentyl-6a,7,8,10a-tetrahydro-6H-benzo[c]chromen-9-yl]carbonyl}-beta-D-glucopyranuronic acid | C27H36O10

1-O-{[(6aR,10aR)-1-Hydroxy-6,6-dimethyl-3-pentyl-6a,7,8,10a-tetrahydro-6H-benzo[c]chromen-9-yl]carbonyl}-β-D-glucopyranuronic acid

  • Molecular FormulaC27H36O10
  • Average mass520.569 Da
  • Monoisotopic mass520.230835 Da
  • ChemSpider ID151453
  • defined stereocentres - 7 of 7 defined stereocentres


More details:






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

1-O-{[(6aR,10aR)-1-Hydroxy-6,6-dimethyl-3-pentyl-6a,7,8,10a-tetrahydro-6H-benzo[c]chromen-9-yl]carbonyl}-β-D-glucopyranuronic acid [ACD/IUPAC Name]
1-O-{[(6aR,10aR)-1-Hydroxy-6,6-dimethyl-3-pentyl-6a,7,8,10a-tetrahydro-6H-benzo[c]chromen-9-yl]carbonyl}-β-D-glucopyranuronsäure [German] [ACD/IUPAC Name]
Acide 1-O-{[(6aR,10aR)-1-hydroxy-6,6-diméthyl-3-pentyl-6a,7,8,10a-tétrahydro-6H-benzo[c]chromén-9-yl]carbonyl}-β-D-glucopyranuronique [French] [ACD/IUPAC Name]
β-D-Glucopyranuronic acid, 1-O-[[(6aR,10aR)-6a,7,8,10a-tetrahydro-1-hydroxy-6,6-dimethyl-3-pentyl-6H-dibenzo[b,d]pyran-9-yl]carbonyl]- [ACD/Index Name]
11-Nor-?9-Tetrahydro Cannabinol-9-carboxylate Acyl-b-D-glucuronide
76448-35-6 [RN]
Thc-11-oic acid glucuronide
β-D-Glucopyranuronic acid, 1-(6a,7,8,10a-tetrahydro-1-hydroxy-6,6-dimethyl-3-pentyl-6H-dibenzo(b,d)pyran-9-carboxylate), (6aR-trans)-
δ(9)-Tetrahydrocannabinol-11-oic acid glucuronide

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.4±0.1 g/cm3
Boiling Point: 681.0±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 104.9±3.0 kJ/mol
Flash Point: 222.5±25.0 °C
Index of Refraction: 1.621
Molar Refractivity: 130.5±0.4 cm3
#H bond acceptors: 10
#H bond donors: 5
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 4
ACD/LogP: 6.50
ACD/LogD (pH 5.5): 1.36
ACD/BCF (pH 5.5): 1.24
ACD/KOC (pH 5.5): 5.95
ACD/LogD (pH 7.4): 0.57
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 163 Å2
Polarizability: 51.7±0.5 10-24cm3
Surface Tension: 70.2±5.0 dyne/cm
Molar Volume: 370.9±5.0 cm3

Click to predict properties on the Chemicalize site






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