ChemSpider 2D Image | (6aR,10aR)-9-Carboxy-6,6-dimethyl-3-pentyl-6a,7,8,10a-tetrahydro-6H-benzo[c]chromen-1-yl beta-D-glucopyranosiduronic acid | C27H36O10

(6aR,10aR)-9-Carboxy-6,6-dimethyl-3-pentyl-6a,7,8,10a-tetrahydro-6H-benzo[c]chromen-1-yl β-D-glucopyranosiduronic acid

  • Molecular FormulaC27H36O10
  • Average mass520.569 Da
  • Monoisotopic mass520.230835 Da
  • ChemSpider ID57262459

  • defined stereocentres - 7 of 7 defined stereocentres

More details:

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

(6aR,10aR)-9-Carboxy-6,6-dimethyl-3-pentyl-6a,7,8,10a-tetrahydro-6H-benzo[c]chromen-1-yl β-D-glucopyranosiduronic acid [ACD/IUPAC Name]
(6aR,10aR)-9-Carboxy-6,6-dimethyl-3-pentyl-6a,7,8,10a-tetrahydro-6H-benzo[c]chromen-1-yl-β-D-glucopyranosiduronsäure [German] [ACD/IUPAC Name]
6H-Dibenzo[b,d]pyran-9-carboxylic acid, 1-(β-D-glucopyranuronosyloxy)-6a,7,8,10a-tetrahydro-6,6-dimethyl-3-pentyl-, (6aR,10aR)- [ACD/Index Name]
Acide β-D-glucopyranosiduronique de (6aR,10aR)-9-carboxy-6,6-diméthyl-3-pentyl-6a,7,8,10a-tétrahydro-6H-benzo[c]chromén-1-yle [French] [ACD/IUPAC Name]
(+)-11-NOR-δ-9-TETRAHYDROCANNABINOL-9-CARBOXYLIC ACID GLUCURONIDE
(6aR,10aR)-9-Carboxy-6,6-dimethyl-3-pentyl-6a,7,8,10a-tetrahydro-6H-dibenzo[b,d]pyran-1-yl β-D-glucopyranosiduronic acid
84376-63-6 [RN]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 733.7±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 112.4±3.0 kJ/mol
Flash Point: 242.1±26.4 °C
Index of Refraction: 1.595
Molar Refractivity: 130.6±0.3 cm3
#H bond acceptors: 10
#H bond donors: 5
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 3
ACD/LogP: 3.78
ACD/LogD (pH 5.5): -0.80
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.80
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 163 Å2
Polarizability: 51.8±0.5 10-24cm3
Surface Tension: 60.9±3.0 dyne/cm
Molar Volume: 384.3±3.0 cm3

Click to predict properties on the Chemicalize site


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