ChemSpider 2D Image | (7E)-1-{3-[(3E)-4,8-Dimethyl-3,7-nonadien-1-yl]-3-methyl-2-oxiranyl}-4-hydroxy-4,8,12-trimethyl-7,11-tridecadien-3-yl beta-D-mannopyranoside | C36H62O8

(7E)-1-{3-[(3E)-4,8-Dimethyl-3,7-nonadien-1-yl]-3-methyl-2-oxiranyl}-4-hydroxy-4,8,12-trimethyl-7,11-tridecadien-3-yl β-D-mannopyranoside

  • Molecular FormulaC36H62O8
  • Average mass622.873 Da
  • Monoisotopic mass622.444458 Da
  • ChemSpider ID8614316

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 5 of 9 defined stereocentres

More details:

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

(7E)-1-{3-[(3E)-4,8-Dimethyl-3,7-nonadien-1-yl]-3-methyl-2-oxiranyl}-4-hydroxy-4,8,12-trimethyl-7,11-tridecadien-3-yl β-D-mannopyranoside [ACD/IUPAC Name]
(7E)-1-{3-[(3E)-4,8-Dimethyl-3,7-nonadien-1-yl]-3-methyl-2-oxiranyl}-4-hydroxy-4,8,12-trimethyl-7,11-tridecadien-3-yl-β-D-mannopyranosid [German] [ACD/IUPAC Name]
Heptitol, 1,2-anhydro-3,4,7-trideoxy-1,6-bis-C-[(3E)-4,8-dimethyl-3,7-nonadien-1-yl]-5-O-β-D-mannopyranosyl-1-C-methyl- [ACD/Index Name]
β-D-Mannopyranoside de (7E)-1-{3-[(3E)-4,8-diméthyl-3,7-nonadién-1-yl]-3-méthyl-2-oxiranyl}-4-hydroxy-4,8,12-triméthyl-7,11-tridécadién-3-yle [French] [ACD/IUPAC Name]
14,15-irpexanoxide

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

Density: 1.1±0.1 g/cm3
Boiling Point: 740.8±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.5 mmHg at 25°C
Enthalpy of Vaporization: 123.3±6.0 kJ/mol
Flash Point: 401.8±32.9 °C
Index of Refraction: 1.542
Molar Refractivity: 176.1±0.4 cm3
#H bond acceptors: 8
#H bond donors: 5
#Freely Rotating Bonds: 19
#Rule of 5 Violations: 3
ACD/LogP: 6.55
ACD/LogD (pH 5.5): 6.29
ACD/BCF (pH 5.5): 35331.45
ACD/KOC (pH 5.5): 62684.15
ACD/LogD (pH 7.4): 6.29
ACD/BCF (pH 7.4): 35331.22
ACD/KOC (pH 7.4): 62683.74
Polar Surface Area: 132 Å2
Polarizability: 69.8±0.5 10-24cm3
Surface Tension: 47.9±5.0 dyne/cm
Molar Volume: 560.1±5.0 cm3

Click to predict properties on the Chemicalize site


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