ChemSpider 2D Image | (1alpha,3beta,18alpha)-3-Acetoxy-23-[(4-O-acetyl-6-deoxy-alpha-L-mannopyranosyl)oxy]-1-hydroxyolean-12-en-29-oic acid | C40H62O11

(1α,3β,18α)-3-Acetoxy-23-[(4-O-acetyl-6-deoxy-α-L-mannopyranosyl)oxy]-1-hydroxyolean-12-en-29-oic acid

  • Molecular FormulaC40H62O11
  • Average mass718.914 Da
  • Monoisotopic mass718.429199 Da
  • ChemSpider ID34896562

  • defined stereocentres - 16 of 16 defined stereocentres

More details:

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

(1α,3β,18α)-3-Acetoxy-23-[(4-O-acetyl-6-deoxy-α-L-mannopyranosyl)oxy]-1-hydroxyolean-12-en-29-oic acid [ACD/IUPAC Name]
(1α,3β,18α)-3-Acetoxy-23-[(4-O-acetyl-6-desoxy-α-L-mannopyranosyl)oxy]-1-hydroxyolean-12-en-29-säure [German] [ACD/IUPAC Name]
Acide (1α,3β,18α)-3-acétoxy-23-[(4-O-acétyl-6-désoxy-α-L-mannopyranosyl)oxy]-1-hydroxyoléan-12-én-29-oïque [French] [ACD/IUPAC Name]
Olean-12-en-29-oic acid, 23-[(4-O-acetyl-6-deoxy-α-L-mannopyranosyl)oxy]-3-(acetyloxy)-1-hydroxy-, (1α,3β,18α)- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 759.7±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.8 mmHg at 25°C
Enthalpy of Vaporization: 126.2±6.0 kJ/mol
Flash Point: 221.6±26.4 °C
Index of Refraction: 1.571
Molar Refractivity: 188.0±0.4 cm3
#H bond acceptors: 11
#H bond donors: 4
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 3
ACD/LogP: 6.74
ACD/LogD (pH 5.5): 5.76
ACD/BCF (pH 5.5): 9032.01
ACD/KOC (pH 5.5): 13877.56
ACD/LogD (pH 7.4): 3.97
ACD/BCF (pH 7.4): 144.36
ACD/KOC (pH 7.4): 221.80
Polar Surface Area: 169 Å2
Polarizability: 74.5±0.5 10-24cm3
Surface Tension: 55.7±5.0 dyne/cm
Molar Volume: 571.8±5.0 cm3

Click to predict properties on the Chemicalize site


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