ChemSpider 2D Image | (3alpha,5xi,9xi,12alpha,13alpha,14beta,20E)-12,25-Dihydroxydammar-20(22)-en-3-yl beta-D-glucopyranoside | C36H62O8

(3α,5ξ,9ξ,12α,13α,14β,20E)-12,25-Dihydroxydammar-20(22)-en-3-yl β-D-glucopyranoside

  • Molecular FormulaC36H62O8
  • Average mass622.873 Da
  • Monoisotopic mass622.444458 Da
  • ChemSpider ID68054531

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 12 of 14 defined stereocentres

More details:

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

(3α,5ξ,9ξ,12α,13α,14β,20E)-12,25-Dihydroxydammar-20(22)-en-3-yl β-D-glucopyranoside [ACD/IUPAC Name]
(3α,5ξ,9ξ,12α,13α,14β,20E)-12,25-Dihydroxydammar-20(22)-en-3-yl-β-D-glucopyranosid [German] [ACD/IUPAC Name]
β-D-Glucopyranoside de (3α,5ξ,9ξ,12α,13α,14β,20E)-12,25-dihydroxydammar-20(22)-én-3-yle [French] [ACD/IUPAC Name]
β-D-Glucopyranoside, (3α,5ξ,9ξ,12α,13α,14β,20E)-12,25-dihydroxydammar-20(22)-en-3-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: 726.2±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.4 mmHg at 25°C
Enthalpy of Vaporization: 121.1±6.0 kJ/mol
Flash Point: 393.0±32.9 °C
Index of Refraction: 1.572
Molar Refractivity: 170.7±0.4 cm3
#H bond acceptors: 8
#H bond donors: 6
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 3
ACD/LogP: 5.35
ACD/LogD (pH 5.5): 4.66
ACD/BCF (pH 5.5): 2055.14
ACD/KOC (pH 5.5): 8183.30
ACD/LogD (pH 7.4): 4.66
ACD/BCF (pH 7.4): 2055.13
ACD/KOC (pH 7.4): 8183.25
Polar Surface Area: 140 Å2
Polarizability: 67.7±0.5 10-24cm3
Surface Tension: 54.5±5.0 dyne/cm
Molar Volume: 519.1±5.0 cm3

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