ChemSpider 2D Image | 2-[(1S)-4-Methyl-3-cyclohexen-1-yl]-2-propanyl 2,3,4-tri-O-acetyl-6-O-(3,4,5-triacetoxybenzoyl)-beta-D-glucopyranoside | C35H44O16

2-[(1S)-4-Methyl-3-cyclohexen-1-yl]-2-propanyl 2,3,4-tri-O-acetyl-6-O-(3,4,5-triacetoxybenzoyl)-β-D-glucopyranoside

  • Molecular FormulaC35H44O16
  • Average mass720.714 Da
  • Monoisotopic mass720.262939 Da
  • ChemSpider ID9977637

  • defined stereocentres - 6 of 6 defined stereocentres

More details:

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

2,3,4-Tri-O-acétyl-6-O-(3,4,5-triacétoxybenzoyl)-β-D-glucopyranoside de 2-[(1S)-4-méthyl-3-cyclohexén-1-yl]-2-propanyle [French] [ACD/IUPAC Name]
2-[(1S)-4-Methyl-3-cyclohexen-1-yl]-2-propanyl 2,3,4-tri-O-acetyl-6-O-(3,4,5-triacetoxybenzoyl)-β-D-glucopyranoside [ACD/IUPAC Name]
2-[(1S)-4-Methyl-3-cyclohexen-1-yl]-2-propanyl-2,3,4-tri-O-acetyl-6-O-(3,4,5-triacetoxybenzoyl)-β-D-glucopyranosid [German] [ACD/IUPAC Name]
β-D-Glucopyranoside, 1-methyl-1-[(1S)-4-methyl-3-cyclohexen-1-yl]ethyl, 2,3,4-triacetate 6-[3,4,5-tris(acetyloxy)benzoate] [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 740.7±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 108.0±3.0 kJ/mol
Flash Point: 299.5±32.9 °C
Index of Refraction: 1.541
Molar Refractivity: 173.0±0.4 cm3
#H bond acceptors: 16
#H bond donors: 0
#Freely Rotating Bonds: 19
#Rule of 5 Violations: 2
ACD/LogP: 4.77
ACD/LogD (pH 5.5): 4.80
ACD/BCF (pH 5.5): 2611.11
ACD/KOC (pH 5.5): 9713.12
ACD/LogD (pH 7.4): 4.80
ACD/BCF (pH 7.4): 2611.11
ACD/KOC (pH 7.4): 9713.12
Polar Surface Area: 203 Å2
Polarizability: 68.6±0.5 10-24cm3
Surface Tension: 53.5±5.0 dyne/cm
Molar Volume: 550.5±5.0 cm3

Click to predict properties on the Chemicalize site


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