ChemSpider 2D Image | (3alpha,5beta,7beta,8alpha,9beta,10alpha,12alpha,15alpha)-15-Hydroxyatisane-3,7,19-triyl triacetate | C26H40O7

(3α,5β,7β,8α,9β,10α,12α,15α)-15-Hydroxyatisane-3,7,19-triyl triacetate

  • Molecular FormulaC26H40O7
  • Average mass464.592 Da
  • Monoisotopic mass464.277405 Da
  • ChemSpider ID23934655

  • defined stereocentres - 10 of 10 defined stereocentres

More details:

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

(3α,5β,7β,8α,9β,10α,12α,15α)-15-Hydroxyatisan-3,7,19-triyl-triacetat [German] [ACD/IUPAC Name]
(3α,5β,7β,8α,9β,10α,12α,15α)-15-Hydroxyatisane-3,7,19-triyl triacetate [ACD/IUPAC Name]
Atisane-3,7,15,19-tetrol, 3,7,19-triacetate, (3α,5β,7β,8α,9β,10α,12α,15α)- [ACD/Index Name]
Triacétate de (3α,5β,7β,8α,9β,10α,12α,15α)-15-hydroxyatisane-3,7,19-triyle [French] [ACD/IUPAC Name]
112726-36-0 [RN]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 525.2±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.1 mmHg at 25°C
Enthalpy of Vaporization: 92.0±6.0 kJ/mol
Flash Point: 164.9±23.6 °C
Index of Refraction: 1.532
Molar Refractivity: 121.2±0.4 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 3.76
ACD/LogD (pH 5.5): 4.38
ACD/BCF (pH 5.5): 1259.49
ACD/KOC (pH 5.5): 5763.92
ACD/LogD (pH 7.4): 4.38
ACD/BCF (pH 7.4): 1259.49
ACD/KOC (pH 7.4): 5763.92
Polar Surface Area: 99 Å2
Polarizability: 48.1±0.5 10-24cm3
Surface Tension: 46.6±5.0 dyne/cm
Molar Volume: 391.0±5.0 cm3

Click to predict properties on the Chemicalize site


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