ChemSpider 2D Image | 21-(beta-D-Allopyranuronosyloxy)-2,29-dihydroxy-29-oxooleana-11,13(18)-dien-3-yl beta-D-allopyranosiduronic acid | C42H62O17

21-(β-D-Allopyranuronosyloxy)-2,29-dihydroxy-29-oxooleana-11,13(18)-dien-3-yl β-D-allopyranosiduronic acid

  • Molecular FormulaC42H62O17
  • Average mass838.932 Da
  • Monoisotopic mass838.398682 Da
  • ChemSpider ID4476522

  • defined stereocentres - 10 of 20 defined stereocentres

More details:

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

21-(β-D-Allopyranuronosyloxy)-2,29-dihydroxy-29-oxooleana-11,13(18)-dien-3-yl β-D-allopyranosiduronic acid [ACD/IUPAC Name]
21-(β-D-Allopyranuronosyloxy)-2,29-dihydroxy-29-oxooleana-11,13(18)-dien-3-yl-β-D-allopyranosiduronsäure [German] [ACD/IUPAC Name]
Acide β-D-allopyranosiduronique de 21-(β-D-allopyranuronosyloxy)-2,29-dihydroxy-29-oxooléana-11,13(18)-dién-3-yle [French] [ACD/IUPAC Name]
Oleana-11,13(18)-dien-29-oic acid, 3,21-bis(β-D-allopyranuronosyloxy)-2-hydroxy- [ACD/Index Name]
Glyyunnanprosapogenin D

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

Density: 1.5±0.1 g/cm3
Boiling Point: 998.0±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 165.0±6.0 kJ/mol
Flash Point: 296.0±27.8 °C
Index of Refraction: 1.643
Molar Refractivity: 204.0±0.4 cm3
#H bond acceptors: 17
#H bond donors: 10
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 3
ACD/LogP: 1.55
ACD/LogD (pH 5.5): -3.69
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.89
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 290 Å2
Polarizability: 80.9±0.5 10-24cm3
Surface Tension: 80.3±5.0 dyne/cm
Molar Volume: 564.0±5.0 cm3

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