ChemSpider 2D Image | (6aR,10aR)-9-(Hydroxymethyl)-6,6-dimethyl-3-pentyl-6a,7,8,10a-tetrahydro-6H-benzo[c]chromen-1-yl beta-D-glucopyranosiduronic acid | C27H38O9

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

  • Molecular FormulaC27H38O9
  • Average mass506.585 Da
  • Monoisotopic mass506.251587 Da
  • ChemSpider ID107443417

  • defined stereocentres - 7 of 7 defined stereocentres

More details:

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

(6aR,10aR)-9-(Hydroxymethyl)-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-(Hydroxymethyl)-6,6-dimethyl-3-pentyl-6a,7,8,10a-tetrahydro-6H-benzo[c]chromen-1-yl-β-D-glucopyranosiduronsäure [German] [ACD/IUPAC Name]
Acide β-D-glucopyranosiduronique de (6aR,10aR)-9-(hydroxyméthyl)-6,6-diméthyl-3-pentyl-6a,7,8,10a-tétrahydro-6H-benzo[c]chromén-1-yle [French] [ACD/IUPAC Name]
β-D-Glucopyranosiduronic acid, (6aR,10aR)-6a,7,8,10a-tetrahydro-9-(hydroxymethyl)-6,6-dimethyl-3-pentyl-6H-dibenzo[b,d]pyran-1-yl [ACD/Index Name]
68497-85-8 [RN]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 703.7±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 108.1±3.0 kJ/mol
Flash Point: 231.3±26.4 °C
Index of Refraction: 1.584
Molar Refractivity: 130.7±0.3 cm3
#H bond acceptors: 9
#H bond donors: 5
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 4.15
ACD/LogD (pH 5.5): 0.64
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.63
ACD/LogD (pH 7.4): -0.22
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 146 Å2
Polarizability: 51.8±0.5 10-24cm3
Surface Tension: 56.0±3.0 dyne/cm
Molar Volume: 390.6±3.0 cm3

Click to predict properties on the Chemicalize site


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