ChemSpider 2D Image | (2beta,3beta,6beta,16alpha)-3-(beta-D-Glucopyranosyloxy)-2,6,16,23-tetrahydroxy-9,18-dimethylolean-12-en-28-oic acid | C38H62O12

(2β,3β,6β,16α)-3-(β-D-Glucopyranosyloxy)-2,6,16,23-tetrahydroxy-9,18-dimethylolean-12-en-28-oic acid

  • Molecular FormulaC38H62O12
  • Average mass710.892 Da
  • Monoisotopic mass710.424133 Da
  • ChemSpider ID408813

  • defined stereocentres - 17 of 17 defined stereocentres

More details:

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

(2β,3β,6β,16α)-3-(β-D-Glucopyranosyloxy)-2,6,16,23-tetrahydroxy-9,18-dimethylolean-12-en-28-oic acid [ACD/IUPAC Name]
(2β,3β,6β,16α)-3-(β-D-Glucopyranosyloxy)-2,6,16,23-tetrahydroxy-9,18-dimethylolean-12-en-28-säure [German] [ACD/IUPAC Name]
Acide (2β,3β,6β,16α)-3-(β-D-glucopyranosyloxy)-2,6,16,23-tétrahydroxy-9,18-diméthyloléan-12-én-28-oïque [French] [ACD/IUPAC Name]
Olean-12-en-28-oic acid, 3-(β-D-glucopyranosyloxy)-2,6,16,23-tetrahydroxy-9,18-dimethyl-, (2β,3β,6β,16α)- [ACD/Index Name]
16α-Hydroxyprotobassic acid, 3-O-β-D-glucopyranoside

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

AIDS043662 [DBID]
AIDS-043662 [DBID]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 841.3±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 139.0±6.0 kJ/mol
Flash Point: 252.7±27.8 °C
Index of Refraction: 1.618
Molar Refractivity: 182.7±0.4 cm3
#H bond acceptors: 12
#H bond donors: 9
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 3
ACD/LogP: 1.93
ACD/LogD (pH 5.5): 1.27
ACD/BCF (pH 5.5): 2.88
ACD/KOC (pH 5.5): 35.18
ACD/LogD (pH 7.4): -0.53
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 218 Å2
Polarizability: 72.4±0.5 10-24cm3
Surface Tension: 70.1±5.0 dyne/cm
Molar Volume: 521.2±5.0 cm3

Click to predict properties on the Chemicalize site


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