ChemSpider 2D Image | 1-{(1S,2S,4aR,5S,6S,8R,8aS)-2-[(2R)-2-Butanyl]-5,6-dihydroxy-1,8-dimethyl-1,2,4a,5,6,7,8,8a-octahydro-1-naphthalenyl}-3-hydroxy-1-propanone | C19H32O4

1-{(1S,2S,4aR,5S,6S,8R,8aS)-2-[(2R)-2-Butanyl]-5,6-dihydroxy-1,8-dimethyl-1,2,4a,5,6,7,8,8a-octahydro-1-naphthalenyl}-3-hydroxy-1-propanone

  • Molecular FormulaC19H32O4
  • Average mass324.455 Da
  • Monoisotopic mass324.230072 Da
  • ChemSpider ID23310886

  • defined stereocentres - 8 of 8 defined stereocentres

More details:

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

1-{(1S,2S,4aR,5S,6S,8R,8aS)-2-[(2R)-2-Butanyl]-5,6-dihydroxy-1,8-diméthyl-1,2,4a,5,6,7,8,8a-octahydro-1-naphtalényl}-3-hydroxy-1-propanone [French] [ACD/IUPAC Name]
1-{(1S,2S,4aR,5S,6S,8R,8aS)-2-[(2R)-2-Butanyl]-5,6-dihydroxy-1,8-dimethyl-1,2,4a,5,6,7,8,8a-octahydro-1-naphthalenyl}-3-hydroxy-1-propanone [ACD/IUPAC Name]
1-{(1S,2S,4aR,5S,6S,8R,8aS)-2-[(2R)-2-Butanyl]-5,6-dihydroxy-1,8-dimethyl-1,2,4a,5,6,7,8,8a-octahydro-1-naphthalinyl}-3-hydroxy-1-propanon [German] [ACD/IUPAC Name]
1-{(1S,2S,4aR,5S,6S,8R,8aS)-2-[(2R)-butan-2-yl]-5,6-dihydroxy-1,8-dimethyl-1,2,4a,5,6,7,8,8a-octahydronaphthalen-1-yl}-3-hydroxypropan-1-one
1-Propanone, 3-hydroxy-1-[(1S,2S,4aR,5S,6S,8R,8aS)-1,2,4a,5,6,7,8,8a-octahydro-5,6-dihydroxy-1,8-dimethyl-2-[(1R)-1-methylpropyl]-1-naphthalenyl]- [ACD/Index Name]
eujavanicol B

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

Density: 1.1±0.1 g/cm3
Boiling Point: 460.4±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 83.2±6.0 kJ/mol
Flash Point: 246.4±25.2 °C
Index of Refraction: 1.517
Molar Refractivity: 90.1±0.3 cm3
#H bond acceptors: 4
#H bond donors: 3
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 2.70
ACD/LogD (pH 5.5): 2.44
ACD/BCF (pH 5.5): 42.20
ACD/KOC (pH 5.5): 507.03
ACD/LogD (pH 7.4): 2.44
ACD/BCF (pH 7.4): 42.20
ACD/KOC (pH 7.4): 507.03
Polar Surface Area: 78 Å2
Polarizability: 35.7±0.5 10-24cm3
Surface Tension: 41.9±3.0 dyne/cm
Molar Volume: 298.0±3.0 cm3

Click to predict properties on the Chemicalize site


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