ChemSpider 2D Image | (3beta,5xi,18alpha)-3-[(3-O-Acetyl-alpha-L-arabinopyranosyl)oxy]olean-12-ene-28,29-dioic acid | C37H56O10

(3β,5ξ,18α)-3-[(3-O-Acetyl-α-L-arabinopyranosyl)oxy]olean-12-ene-28,29-dioic acid

  • Molecular FormulaC37H56O10
  • Average mass660.834 Da
  • Monoisotopic mass660.387329 Da
  • ChemSpider ID116497

  • defined stereocentres - 11 of 13 defined stereocentres

More details:

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

(3β,5ξ,18α)-3-[(3-O-Acetyl-α-L-arabinopyranosyl)oxy]olean-12-en-28,29-disäure [German] [ACD/IUPAC Name]
(3β,5ξ,18α)-3-[(3-O-Acetyl-α-L-arabinopyranosyl)oxy]olean-12-ene-28,29-dioic acid [ACD/IUPAC Name]
Acide (3β,5ξ,18α)-3-[(3-O-acétyl-α-L-arabinopyranosyl)oxy]oléan-12-ène-28,29-dioïque [French] [ACD/IUPAC Name]
Olean-12-ene-28,29-dioic acid, 3-[(3-O-acetyl-α-L-arabinopyranosyl)oxy]-, (3β,5ξ,18α)- [ACD/Index Name]
(4Ar,6aR,6aS,6bR,10S,12aR,14bR)-10-[(2S,3R,4S,5S)-4-acetyloxy-3,5-dihydroxyoxan-2-yl]oxy-2,6a,6b,9,9,12a-hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-2,4a-dicarboxylic acid
135248-38-3 [RN]
Olean-12-ene-28,29-dioic acid, 3-((3-O-acetyl-α-L-arabinopyranosyl)oxy)-, (3β,20α)-
Yiyeliangwanoside II

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.3±0.1 g/cm3
Boiling Point: 760.7±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.8 mmHg at 25°C
Enthalpy of Vaporization: 126.4±6.0 kJ/mol
Flash Point: 229.7±26.4 °C
Index of Refraction: 1.582
Molar Refractivity: 172.4±0.4 cm3
#H bond acceptors: 10
#H bond donors: 4
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 3
ACD/LogP: 7.03
ACD/LogD (pH 5.5): 4.90
ACD/BCF (pH 5.5): 1111.07
ACD/KOC (pH 5.5): 1562.72
ACD/LogD (pH 7.4): 2.09
ACD/BCF (pH 7.4): 1.73
ACD/KOC (pH 7.4): 2.44
Polar Surface Area: 160 Å2
Polarizability: 68.3±0.5 10-24cm3
Surface Tension: 57.9±5.0 dyne/cm
Molar Volume: 516.6±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement