ChemSpider 2D Image | Mucrolidin | C15H28O3

Mucrolidin

  • Molecular FormulaC15H28O3
  • Average mass256.381 Da
  • Monoisotopic mass256.203857 Da
  • ChemSpider ID28424492

  • defined stereocentres - 6 of 6 defined stereocentres

More details:

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

(1R,4S,4aS,5S,6S,8aR)-6-Isopropyl-4,8a-diméthyldécahydro-1,4,5-naphtalènetriol [French] [ACD/IUPAC Name]
(1R,4S,4aS,5S,6S,8aR)-6-Isopropyl-4,8a-dimethyldecahydro-1,4,5-naphthalenetriol [ACD/IUPAC Name]
(1R,4S,4aS,5S,6S,8aR)-6-Isopropyl-4,8a-dimethyldecahydro-1,4,5-naphthalintriol [German] [ACD/IUPAC Name]
1,4,5-Naphthalenetriol, decahydro-4,8a-dimethyl-6-(1-methylethyl)-, (1R,4S,4aS,5S,6S,8aR)- [ACD/Index Name]
Mucrolidin
(+)-1β,4β,6α-eudesmanetriol
(+)-1β,4β,6α-trihydroxyeudesmane
(1R,4S,4aS,5S,6S,8aR)-4,8a-dimethyl-6-(propan-2-yl)decahydronaphthalene-1,4,5-triol
[227471-20-7] [RN]
1β,4β,6α-eudesmanetriol
More...

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

Density: 1.1±0.1 g/cm3
Boiling Point: 380.4±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 72.7±6.0 kJ/mol
Flash Point: 173.2±22.5 °C
Index of Refraction: 1.526
Molar Refractivity: 72.0±0.3 cm3
#H bond acceptors: 3
#H bond donors: 3
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 2.47
ACD/LogD (pH 5.5): 2.26
ACD/BCF (pH 5.5): 30.65
ACD/KOC (pH 5.5): 403.28
ACD/LogD (pH 7.4): 2.26
ACD/BCF (pH 7.4): 30.65
ACD/KOC (pH 7.4): 403.28
Polar Surface Area: 61 Å2
Polarizability: 28.6±0.5 10-24cm3
Surface Tension: 44.2±3.0 dyne/cm
Molar Volume: 234.7±3.0 cm3

Click to predict properties on the Chemicalize site


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