ChemSpider 2D Image | (3beta,16alpha,18alpha)-16,23,28-Trihydroxyolean-12-en-3-yl 2-O-beta-D-glucopyranosyl-alpha-L-arabinopyranoside | C41H68O13

(3β,16α,18α)-16,23,28-Trihydroxyolean-12-en-3-yl 2-O-β-D-glucopyranosyl-α-L-arabinopyranoside

  • Molecular FormulaC41H68O13
  • Average mass768.971 Da
  • Monoisotopic mass768.466003 Da
  • ChemSpider ID24637301

  • defined stereocentres - 19 of 19 defined stereocentres

More details:

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

(3β,16α,18α)-16,23,28-Trihydroxyolean-12-en-3-yl 2-O-β-D-glucopyranosyl-α-L-arabinopyranoside [ACD/IUPAC Name]
(3β,16α,18α)-16,23,28-Trihydroxyolean-12-en-3-yl-2-O-β-D-glucopyranosyl-α-L-arabinopyranosid [German] [ACD/IUPAC Name]
2-O-β-D-Glucopyranosyl-α-L-arabinopyranoside de (3β,16α,18α)-16,23,28-trihydroxyoléan-12-én-3-yle [French] [ACD/IUPAC Name]
α-L-Arabinopyranoside, (3β,16α,18α)-16,23,28-trihydroxyolean-12-en-3-yl 2-O-β-D-glucopyranosyl- [ACD/Index Name]
HETEROGENOSIDE A

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

Density: 1.4±0.1 g/cm3
Boiling Point: 878.0±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 145.0±6.0 kJ/mol
Flash Point: 484.8±34.3 °C
Index of Refraction: 1.615
Molar Refractivity: 197.8±0.4 cm3
#H bond acceptors: 13
#H bond donors: 9
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 3
ACD/LogP: 3.63
ACD/LogD (pH 5.5): 3.27
ACD/BCF (pH 5.5): 179.47
ACD/KOC (pH 5.5): 1428.04
ACD/LogD (pH 7.4): 3.27
ACD/BCF (pH 7.4): 179.47
ACD/KOC (pH 7.4): 1428.04
Polar Surface Area: 219 Å2
Polarizability: 78.4±0.5 10-24cm3
Surface Tension: 68.9±5.0 dyne/cm
Molar Volume: 567.1±5.0 cm3

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