ChemSpider 2D Image | (1R,2S,5R)-2-Isopropyl-5-methylcyclohexyl 2-O-acetyl-3,4,6-tri-O-benzyl-beta-D-glucopyranoside | C39H50O7

(1R,2S,5R)-2-Isopropyl-5-methylcyclohexyl 2-O-acetyl-3,4,6-tri-O-benzyl-β-D-glucopyranoside

  • Molecular FormulaC39H50O7
  • Average mass630.810 Da
  • Monoisotopic mass630.355652 Da
  • ChemSpider ID9471595

  • defined stereocentres - 8 of 8 defined stereocentres

More details:

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

(1R,2S,5R)-2-Isopropyl-5-methylcyclohexyl 2-O-acetyl-3,4,6-tri-O-benzyl-β-D-glucopyranoside [ACD/IUPAC Name]
(1R,2S,5R)-2-Isopropyl-5-methylcyclohexyl-2-O-acetyl-3,4,6-tri-O-benzyl-β-D-glucopyranosid [German] [ACD/IUPAC Name]
2-O-Acétyl-3,4,6-tri-O-benzyl-β-D-glucopyranoside de (1R,2S,5R)-2-isopropyl-5-méthylcyclohexyle [French] [ACD/IUPAC Name]
β-D-Glucopyranoside, (1R,2S,5R)-5-methyl-2-(1-methylethyl)cyclohexyl 3,4,6-tris-O-(phenylmethyl)-, acetate [ACD/Index Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 689.3±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 101.0±3.0 kJ/mol
Flash Point: 279.9±31.5 °C
Index of Refraction: 1.567
Molar Refractivity: 179.7±0.4 cm3
#H bond acceptors: 7
#H bond donors: 0
#Freely Rotating Bonds: 15
#Rule of 5 Violations: 2
ACD/LogP: 10.85
ACD/LogD (pH 5.5): 9.51
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 3529593.75
ACD/LogD (pH 7.4): 9.51
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 3529593.75
Polar Surface Area: 72 Å2
Polarizability: 71.2±0.5 10-24cm3
Surface Tension: 47.4±5.0 dyne/cm
Molar Volume: 549.9±5.0 cm3

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