ChemSpider 2D Image | (1alpha,3beta,21S,24S)-21,24-Cyclolanosta-7,9(11)-diene-1,3,21,25,28-pentol | C30H48O5

(1α,3β,21S,24S)-21,24-Cyclolanosta-7,9(11)-diene-1,3,21,25,28-pentol

  • Molecular FormulaC30H48O5
  • Average mass488.699 Da
  • Monoisotopic mass488.350189 Da
  • ChemSpider ID78441538

  • defined stereocentres - 11 of 11 defined stereocentres

More details:

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

(1α,3β,21S,24S)-21,24-Cyclolanosta-7,9(11)-dien-1,3,21,25,28-pentol [German] [ACD/IUPAC Name]
(1α,3β,21S,24S)-21,24-Cyclolanosta-7,9(11)-diene-1,3,21,25,28-pentol [ACD/IUPAC Name]
(1α,3β,21S,24S)-21,24-Cyclolanosta-7,9(11)-diène-1,3,21,25,28-pentol [French] [ACD/IUPAC Name]
21,24-Cyclolanosta-7,9(11)-diene-1,3,21,25,28-pentol, (1α,3β,21S,24S)- [ACD/Index Name]
Inonotusol C

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

Density: 1.2±0.1 g/cm3
Boiling Point: 651.8±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.4 mmHg at 25°C
Enthalpy of Vaporization: 110.0±6.0 kJ/mol
Flash Point: 272.8±26.1 °C
Index of Refraction: 1.596
Molar Refractivity: 137.7±0.4 cm3
#H bond acceptors: 5
#H bond donors: 5
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 1
ACD/LogP: 3.22
ACD/LogD (pH 5.5): 3.69
ACD/BCF (pH 5.5): 374.79
ACD/KOC (pH 5.5): 2420.58
ACD/LogD (pH 7.4): 3.69
ACD/BCF (pH 7.4): 374.79
ACD/KOC (pH 7.4): 2420.58
Polar Surface Area: 101 Å2
Polarizability: 54.6±0.5 10-24cm3
Surface Tension: 55.6±5.0 dyne/cm
Molar Volume: 404.4±5.0 cm3

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