ChemSpider 2D Image | (2alpha,3beta,15beta,20xi)-3,9,15-Trihydroxyhetisan-2-yl benzoate | C27H31NO5

(2α,3β,15β,20ξ)-3,9,15-Trihydroxyhetisan-2-yl benzoate

  • Molecular FormulaC27H31NO5
  • Average mass449.539 Da
  • Monoisotopic mass449.220215 Da
  • ChemSpider ID30790851

  • defined stereocentres - 10 of 12 defined stereocentres

More details:

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

(2α,3β,15β,20ξ)-3,9,15-Trihydroxyhetisan-2-yl benzoate [ACD/IUPAC Name]
(2α,3β,15β,20ξ)-3,9,15-Trihydroxyhetisan-2-yl-benzoat [German] [ACD/IUPAC Name]
Benzoate de (2α,3β,15β,20ξ)-3,9,15-trihydroxyhetisan-2-yle [French] [ACD/IUPAC Name]
Hetisan-2,3,9,15-tetrol, 2-benzoate, (2α,3β,15β,20ξ)- [ACD/Index Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.715
Molar Refractivity: 119.4±0.4 cm3
#H bond acceptors: 6
#H bond donors: 3
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 1.34
ACD/LogD (pH 5.5): -0.52
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 1.18
ACD/BCF (pH 7.4): 3.11
ACD/KOC (pH 7.4): 48.40
Polar Surface Area: 90 Å2
Polarizability: 47.4±0.5 10-24cm3
Surface Tension: 75.5±5.0 dyne/cm
Molar Volume: 303.9±5.0 cm3

Click to predict properties on the Chemicalize site


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