ChemSpider 2D Image | HEDERAGENIN DIACETATE | C34H52O6

HEDERAGENIN DIACETATE

  • Molecular FormulaC34H52O6
  • Average mass556.773 Da
  • Monoisotopic mass556.376404 Da
  • ChemSpider ID32701249

  • defined stereocentres - 9 of 9 defined stereocentres

More details:

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

(3β)-3,23-Diacetoxyolean-12-en-28-oic acid [ACD/IUPAC Name]
(3β)-3,23-Diacetoxyolean-12-en-28-säure [German] [ACD/IUPAC Name]
5672-32-2 [RN]
Acide (3β)-3,23-diacétoxyoléan-12-én-28-oïque [French] [ACD/IUPAC Name]
HEDERAGENIN DIACETATE
Olean-12-en-28-oic acid, 3,23-bis(acetyloxy)-, (3β)- [ACD/Index Name]

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

V10FP6N5VT [DBID]
UNII:V10FP6N5VT [DBID]
UNII-V10FP6N5VT [DBID]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 608.0±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.8 mmHg at 25°C
Enthalpy of Vaporization: 98.6±6.0 kJ/mol
Flash Point: 181.4±25.0 °C
Index of Refraction: 1.546
Molar Refractivity: 154.3±0.4 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: 9.14
ACD/LogD (pH 5.5): 7.95
ACD/BCF (pH 5.5): 385528.69
ACD/KOC (pH 5.5): 188875.86
ACD/LogD (pH 7.4): 6.14
ACD/BCF (pH 7.4): 6065.22
ACD/KOC (pH 7.4): 2971.44
Polar Surface Area: 90 Å2
Polarizability: 61.2±0.5 10-24cm3
Surface Tension: 46.3±5.0 dyne/cm
Molar Volume: 487.4±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement