ChemSpider 2D Image | (1alpha,3beta,5xi,9xi)-23-[(4-O-Acetyl-6-deoxy-beta-D-gulopyranosyl)oxy]-1,3-dihydroxyolean-12-en-29-oic acid | C38H60O10

(1α,3β,5ξ,9ξ)-23-[(4-O-Acetyl-6-deoxy-β-D-gulopyranosyl)oxy]-1,3-dihydroxyolean-12-en-29-oic acid

  • Molecular FormulaC38H60O10
  • Average mass676.877 Da
  • Monoisotopic mass676.418640 Da
  • ChemSpider ID4884801

  • defined stereocentres - 14 of 16 defined stereocentres

More details:

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

(1α,3β,5ξ,9ξ)-23-[(4-O-Acetyl-6-deoxy-β-D-gulopyranosyl)oxy]-1,3-dihydroxyolean-12-en-29-oic acid [ACD/IUPAC Name]
(1α,3β,5ξ,9ξ)-23-[(4-O-Acetyl-6-desoxy-β-D-gulopyranosyl)oxy]-1,3-dihydroxyolean-12-en-29-säure [German] [ACD/IUPAC Name]
Acide (1α,3β,5ξ,9ξ)-23-[(4-O-acétyl-6-désoxy-β-D-gulopyranosyl)oxy]-1,3-dihydroxyoléan-12-én-29-oïque [French] [ACD/IUPAC Name]
Olean-12-en-29-oic acid, 23-[(4-O-acetyl-6-deoxy-β-D-gulopyranosyl)oxy]-1,3-dihydroxy-, (1α,3β,5ξ,9ξ)- [ACD/Index Name]
1α,3β-Hydroxyimberbic acid-23-O-α-L-4-acetylrhamnopyranoside

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

Density: 1.3±0.1 g/cm3
Boiling Point: 758.1±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.8 mmHg at 25°C
Enthalpy of Vaporization: 126.0±6.0 kJ/mol
Flash Point: 225.8±26.4 °C
Index of Refraction: 1.582
Molar Refractivity: 178.4±0.4 cm3
#H bond acceptors: 10
#H bond donors: 5
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 4
ACD/LogP: 6.21
ACD/LogD (pH 5.5): 5.13
ACD/BCF (pH 5.5): 2957.86
ACD/KOC (pH 5.5): 6243.38
ACD/LogD (pH 7.4): 3.33
ACD/BCF (pH 7.4): 47.28
ACD/KOC (pH 7.4): 99.80
Polar Surface Area: 163 Å2
Polarizability: 70.7±0.5 10-24cm3
Surface Tension: 57.8±5.0 dyne/cm
Molar Volume: 534.3±5.0 cm3

Click to predict properties on the Chemicalize site


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