ChemSpider 2D Image | (1S,4S,4aR,6S,8aS)-4,4a-Dimethyl-6-[(2E)-6-methyl-2,5-heptadien-2-yl]decahydro-1-naphthalenyl 2-O-acetyl-beta-D-arabinopyranoside | C27H44O6

(1S,4S,4aR,6S,8aS)-4,4a-Dimethyl-6-[(2E)-6-methyl-2,5-heptadien-2-yl]decahydro-1-naphthalenyl 2-O-acetyl-β-D-arabinopyranoside

  • Molecular FormulaC27H44O6
  • Average mass464.635 Da
  • Monoisotopic mass464.313782 Da
  • ChemSpider ID26616693

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 9 of 9 defined stereocentres

More details:

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

(1S,4S,4aR,6S,8aS)-4,4a-Dimethyl-6-[(2E)-6-methyl-2,5-heptadien-2-yl]decahydro-1-naphthalenyl 2-O-acetyl-β-D-arabinopyranoside [ACD/IUPAC Name]
(1S,4S,4aR,6S,8aS)-4,4a-Dimethyl-6-[(2E)-6-methyl-2,5-heptadien-2-yl]decahydro-1-naphthalinyl-2-O-acetyl-β-D-arabinopyranosid [German] [ACD/IUPAC Name]
2-O-Acétyl-β-D-arabinopyranoside de (1S,4S,4aR,6S,8aS)-4,4a-diméthyl-6-[(2E)-6-méthyl-2,5-heptadién-2-yl]décahydro-1-naphtalényle [French] [ACD/IUPAC Name]
β-D-Arabinopyranoside, (1S,4S,4aR,6S,8aS)-6-[(1E)-1,5-dimethyl-1,4-hexadien-1-yl]decahydro-4,4a-dimethyl-1-naphthalenyl, 2-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: 551.8±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.4 mmHg at 25°C
Enthalpy of Vaporization: 95.7±6.0 kJ/mol
Flash Point: 172.1±23.6 °C
Index of Refraction: 1.531
Molar Refractivity: 128.5±0.4 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 7.23
ACD/LogD (pH 5.5): 5.89
ACD/BCF (pH 5.5): 17779.10
ACD/KOC (pH 5.5): 38341.76
ACD/LogD (pH 7.4): 5.89
ACD/BCF (pH 7.4): 17779.03
ACD/KOC (pH 7.4): 38341.59
Polar Surface Area: 85 Å2
Polarizability: 51.0±0.5 10-24cm3
Surface Tension: 44.1±5.0 dyne/cm
Molar Volume: 415.7±5.0 cm3

Click to predict properties on the Chemicalize site


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