ChemSpider 2D Image | (1S,4aS,5R,8aR)-5,6-Bis(hydroxymethyl)-1,4a-dimethyl-1,2,3,4,4a,5,8,8a-octahydro-1-naphthalenecarboxylic acid | C15H24O4

(1S,4aS,5R,8aR)-5,6-Bis(hydroxymethyl)-1,4a-dimethyl-1,2,3,4,4a,5,8,8a-octahydro-1-naphthalenecarboxylic acid

  • Molecular FormulaC15H24O4
  • Average mass268.349 Da
  • Monoisotopic mass268.167450 Da
  • ChemSpider ID78440889

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(1S,4aS,5R,8aR)-5,6-Bis(hydroxymethyl)-1,4a-dimethyl-1,2,3,4,4a,5,8,8a-octahydro-1-naphthalenecarboxylic acid [ACD/IUPAC Name]
(1S,4aS,5R,8aR)-5,6-Bis(hydroxymethyl)-1,4a-dimethyl-1,2,3,4,4a,5,8,8a-octahydro-1-naphthalincarbonsäure [German] [ACD/IUPAC Name]
1-Naphthalenecarboxylic acid, 1,2,3,4,4a,5,8,8a-octahydro-5,6-bis(hydroxymethyl)-1,4a-dimethyl-, (1S,4aS,5R,8aR)- [ACD/Index Name]
Acide (1S,4aS,5R,8aR)-5,6-bis(hydroxyméthyl)-1,4a-diméthyl-1,2,3,4,4a,5,8,8a-octahydro-1-naphtalènecarboxylique [French] [ACD/IUPAC Name]
11,12-dihydroxy-15-drimeneoic acid

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

Density: 1.2±0.1 g/cm3
Boiling Point: 447.7±40.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 81.5±6.0 kJ/mol
Flash Point: 238.7±23.8 °C
Index of Refraction: 1.528
Molar Refractivity: 71.6±0.3 cm3
#H bond acceptors: 4
#H bond donors: 3
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 2.12
ACD/LogD (pH 5.5): 1.24
ACD/BCF (pH 5.5): 3.11
ACD/KOC (pH 5.5): 42.65
ACD/LogD (pH 7.4): -0.56
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 78 Å2
Polarizability: 28.4±0.5 10-24cm3
Surface Tension: 44.6±3.0 dyne/cm
Molar Volume: 232.3±3.0 cm3

Click to predict properties on the Chemicalize site


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