ChemSpider 2D Image | (3beta,18alpha,19beta)-19,28-Epoxyoleanan-3-yl beta-D-xylopyranoside | C35H58O6

(3β,18α,19β)-19,28-Epoxyoleanan-3-yl β-D-xylopyranoside

  • Molecular FormulaC35H58O6
  • Average mass574.831 Da
  • Monoisotopic mass574.423340 Da
  • ChemSpider ID23297686
  • defined stereocentres - 14 of 14 defined stereocentres


More details:






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

(3β,18α,19β)-19,28-Epoxyoleanan-3-yl β-D-xylopyranoside [ACD/IUPAC Name]
(3β,18α,19β)-19,28-Epoxyoleanan-3-yl-β-D-xylopyranosid [German] [ACD/IUPAC Name]
β-D-Xylopyranoside de (3β,18α,19β)-19,28-époxyoléanan-3-yle [French] [ACD/IUPAC Name]
β-D-Xylopyranoside, (3β,18α,19β)-19,28-epoxyoleanan-3-yl [ACD/Index Name]
allobetulin 3β-O-β-D-xylopyranoside

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.2±0.1 g/cm3
Boiling Point: 647.8±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.4 mmHg at 25°C
Enthalpy of Vaporization: 109.4±6.0 kJ/mol
Flash Point: 345.6±31.5 °C
Index of Refraction: 1.569
Molar Refractivity: 159.5±0.4 cm3
#H bond acceptors: 6
#H bond donors: 3
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 2
ACD/LogP: 9.20
ACD/LogD (pH 5.5): 7.79
ACD/BCF (pH 5.5): 489257.53
ACD/KOC (pH 5.5): 411284.56
ACD/LogD (pH 7.4): 7.79
ACD/BCF (pH 7.4): 489254.84
ACD/KOC (pH 7.4): 411282.31
Polar Surface Area: 88 Å2
Polarizability: 63.2±0.5 10-24cm3
Surface Tension: 50.3±5.0 dyne/cm
Molar Volume: 486.5±5.0 cm3

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