ChemSpider 2D Image | (2E)-5-[(1R,4aS,5S,6R,8aS)-6-Hydroxy-5-(hydroxymethyl)-5,8a-dimethyl-2-methylenedecahydro-1-naphthalenyl]-3-methyl-2-penten-1-yl beta-D-glucopyranoside | C26H44O8

(2E)-5-[(1R,4aS,5S,6R,8aS)-6-Hydroxy-5-(hydroxymethyl)-5,8a-dimethyl-2-methylenedecahydro-1-naphthalenyl]-3-methyl-2-penten-1-yl β-D-glucopyranoside

  • Molecular FormulaC26H44O8
  • Average mass484.623 Da
  • Monoisotopic mass484.303619 Da
  • ChemSpider ID68025149

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 10 of 10 defined stereocentres

More details:

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

(2E)-5-[(1R,4aS,5S,6R,8aS)-6-Hydroxy-5-(hydroxymethyl)-5,8a-dimethyl-2-methylendecahydro-1-naphthalinyl]-3-methyl-2-penten-1-yl-β-D-glucopyranosid [German] [ACD/IUPAC Name]
(2E)-5-[(1R,4aS,5S,6R,8aS)-6-Hydroxy-5-(hydroxymethyl)-5,8a-dimethyl-2-methylenedecahydro-1-naphthalenyl]-3-methyl-2-penten-1-yl β-D-glucopyranoside [ACD/IUPAC Name]
β-D-Glucopyranoside de (2E)-5-[(1R,4aS,5S,6R,8aS)-6-hydroxy-5-(hydroxyméthyl)-5,8a-diméthyl-2-méthylènedécahydro-1-naphtalényl]-3-méthyl-2-pentén-1-yle [French] [ACD/IUPAC Name]
β-D-Glucopyranoside, (2E)-5-[(1R,4aS,5S,6R,8aS)-decahydro-6-hydroxy-5-(hydroxymethyl)-5,8a-dimethyl-2-methylene-1-naphthalenyl]-3-methyl-2-penten-1-yl [ACD/Index Name]
90851-24-4 [RN]
Goshonoside F1

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

Density: 1.2±0.1 g/cm3
Boiling Point: 656.9±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.5 mmHg at 25°C
Enthalpy of Vaporization: 110.7±6.0 kJ/mol
Flash Point: 351.1±31.5 °C
Index of Refraction: 1.574
Molar Refractivity: 128.1±0.4 cm3
#H bond acceptors: 8
#H bond donors: 6
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 1.81
ACD/LogD (pH 5.5): 1.40
ACD/BCF (pH 5.5): 6.85
ACD/KOC (pH 5.5): 137.93
ACD/LogD (pH 7.4): 1.40
ACD/BCF (pH 7.4): 6.85
ACD/KOC (pH 7.4): 137.93
Polar Surface Area: 140 Å2
Polarizability: 50.8±0.5 10-24cm3
Surface Tension: 58.0±5.0 dyne/cm
Molar Volume: 388.2±5.0 cm3

Click to predict properties on the Chemicalize site


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