ChemSpider 2D Image | (3beta)-3,23-Diacetoxy-29-[(2,3,4,6-tetra-O-acetyl-beta-D-glucopyranosyl)oxy]olean-12-en-28-oic acid | C48H70O16

(3β)-3,23-Diacetoxy-29-[(2,3,4,6-tetra-O-acetyl-β-D-glucopyranosyl)oxy]olean-12-en-28-oic acid

  • Molecular FormulaC48H70O16
  • Average mass903.060 Da
  • Monoisotopic mass902.466370 Da
  • ChemSpider ID9811261

  • defined stereocentres - 15 of 15 defined stereocentres

More details:

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

(3β)-3,23-Diacetoxy-29-[(2,3,4,6-tetra-O-acetyl-β-D-glucopyranosyl)oxy]olean-12-en-28-oic acid [ACD/IUPAC Name]
(3β)-3,23-Diacetoxy-29-[(2,3,4,6-tetra-O-acetyl-β-D-glucopyranosyl)oxy]olean-12-en-28-säure [German] [ACD/IUPAC Name]
Acide (3β)-3,23-diacétoxy-29-[(2,3,4,6-tétra-O-acétyl-β-D-glucopyranosyl)oxy]oléan-12-én-28-oïque [French] [ACD/IUPAC Name]
Olean-12-en-28-oic acid, 3,23-bis(acetyloxy)-29-[(2,3,4,6-tetra-O-acetyl-β-D-glucopyranosyl)oxy]-, (3β)- [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: 827.1±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±6.5 mmHg at 25°C
Enthalpy of Vaporization: 130.6±6.0 kJ/mol
Flash Point: 227.2±27.8 °C
Index of Refraction: 1.548
Molar Refractivity: 227.9±0.4 cm3
#H bond acceptors: 16
#H bond donors: 1
#Freely Rotating Bonds: 18
#Rule of 5 Violations: 3
ACD/LogP: 9.07
ACD/LogD (pH 5.5): 7.85
ACD/BCF (pH 5.5): 309215.03
ACD/KOC (pH 5.5): 152523.83
ACD/LogD (pH 7.4): 6.04
ACD/BCF (pH 7.4): 4863.52
ACD/KOC (pH 7.4): 2398.99
Polar Surface Area: 214 Å2
Polarizability: 90.3±0.5 10-24cm3
Surface Tension: 52.9±5.0 dyne/cm
Molar Volume: 717.7±5.0 cm3

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