ChemSpider 2D Image | (1S,2S,5R,6R,10R,13S,15R)-5-[(2S,3E,5R)-5,6-Dimethyl-3-hepten-2-yl]-6,10-dimethyl-16,17-dioxapentacyclo[13.2.2.0~1,9~.0~2,6~.0~10,15~]nonadec-13-yl beta-D-glucopyranoside | C34H56O8

(1S,2S,5R,6R,10R,13S,15R)-5-[(2S,3E,5R)-5,6-Dimethyl-3-hepten-2-yl]-6,10-dimethyl-16,17-dioxapentacyclo[13.2.2.01,9.02,6.010,15]nonadec-13-yl β-D-glucopyranoside

  • Molecular FormulaC34H56O8
  • Average mass592.804 Da
  • Monoisotopic mass592.397522 Da
  • ChemSpider ID8206945

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 12 of 15 defined stereocentres

More details:

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

(1S,2S,5R,6R,10R,13S,15R)-5-[(2S,3E,5R)-5,6-Dimethyl-3-hepten-2-yl]-6,10-dimethyl-16,17-dioxapentacyclo[13.2.2.01,9.02,6.010,15]nonadec-13-yl β-D-glucopyranoside [ACD/IUPAC Name]
(1S,2S,5R,6R,10R,13S,15R)-5-[(2S,3E,5R)-5,6-Dimethyl-3-hepten-2-yl]-6,10-dimethyl-16,17-dioxapentacyclo[13.2.2.01,9.02,6.010,15]nonadec-13-yl-β-D-glucopyranosid [German] [ACD/IUPAC Name]
β-D-Glucopyranoside de (1S,2S,5R,6R,10R,13S,15R)-5-[(2S,3E,5R)-5,6-diméthyl-3-heptén-2-yl]-6,10-diméthyl-16,17-dioxapentacyclo[13.2.2.01,9.02,6.010,15]nonadéc-13-yle [French] [ACD/IUPAC Name]
β-D-Glucopyranoside, (1R,3aS,3bS,5aR,7S,9aR,11aR)-dodecahydro-9a,11a-dimethyl-1-[(1S,2E,4R)-1,4,5-trimethyl-2-hexen-1-yl]-3b,5a-ethano-1H-benz[c]indeno[5,4-e][1,2]dioxin-7-yl [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 676.1±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.7 mmHg at 25°C
Enthalpy of Vaporization: 113.6±6.0 kJ/mol
Flash Point: 362.7±31.5 °C
Index of Refraction: 1.572
Molar Refractivity: 160.0±0.4 cm3
#H bond acceptors: 8
#H bond donors: 4
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: 5.85
ACD/LogD (pH 5.5): 5.28
ACD/BCF (pH 5.5): 6012.56
ACD/KOC (pH 5.5): 17645.83
ACD/LogD (pH 7.4): 5.28
ACD/BCF (pH 7.4): 6012.52
ACD/KOC (pH 7.4): 17645.71
Polar Surface Area: 118 Å2
Polarizability: 63.4±0.5 10-24cm3
Surface Tension: 53.2±5.0 dyne/cm
Molar Volume: 486.1±5.0 cm3

Click to predict properties on the Chemicalize site


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