ChemSpider 2D Image | (2aS,3S,4aS,5S,7aS,7bR)-7a-(Hydroxymethyl)-2,2,4a-trimethyl-1,2,3,4,4a,5,7a,7b-octahydro-2aH-cyclobuta[e]indene-2a,3,5-triol | C15H24O4

(2aS,3S,4aS,5S,7aS,7bR)-7a-(Hydroxymethyl)-2,2,4a-trimethyl-1,2,3,4,4a,5,7a,7b-octahydro-2aH-cyclobuta[e]indene-2a,3,5-triol

  • Molecular FormulaC15H24O4
  • Average mass268.349 Da
  • Monoisotopic mass268.167450 Da
  • ChemSpider ID78442239

  • defined stereocentres - 6 of 6 defined stereocentres

More details:

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

(2aS,3S,4aS,5S,7aS,7bR)-7a-(Hydroxymethyl)-2,2,4a-trimethyl-1,2,3,4,4a,5,7a,7b-octahydro-2aH-cyclobuta[e]inden-2a,3,5-triol [German] [ACD/IUPAC Name]
(2aS,3S,4aS,5S,7aS,7bR)-7a-(Hydroxymethyl)-2,2,4a-trimethyl-1,2,3,4,4a,5,7a,7b-octahydro-2aH-cyclobuta[e]indene-2a,3,5-triol [ACD/IUPAC Name]
(2aS,3S,4aS,5S,7aS,7bR)-7a-(Hydroxyméthyl)-2,2,4a-triméthyl-1,2,3,4,4a,5,7a,7b-octahydro-2aH-cyclobuta[e]indène-2a,3,5-triol [French] [ACD/IUPAC Name]
2aH-Cyclobut[e]indene-2a,3,5-triol, 1,2,3,4,4a,5,7a,7b-octahydro-7a-(hydroxymethyl)-2,2,4a-trimethyl-, (2aS,3S,4aS,5S,7aS,7bR)- [ACD/Index Name]
6-hydroxypunctaporonin D

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

Density: 1.3±0.1 g/cm3
Boiling Point: 405.0±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 75.9±6.0 kJ/mol
Flash Point: 189.4±23.3 °C
Index of Refraction: 1.620
Molar Refractivity: 71.2±0.3 cm3
#H bond acceptors: 4
#H bond donors: 4
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 0.09
ACD/LogD (pH 5.5): 0.33
ACD/BCF (pH 5.5): 1.05
ACD/KOC (pH 5.5): 35.93
ACD/LogD (pH 7.4): 0.33
ACD/BCF (pH 7.4): 1.05
ACD/KOC (pH 7.4): 35.93
Polar Surface Area: 81 Å2
Polarizability: 28.2±0.5 10-24cm3
Surface Tension: 68.1±3.0 dyne/cm
Molar Volume: 202.7±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement