ChemSpider 2D Image | (3S,3aR,7S,7aR)-7-Hydroxy-3-[(2R,5R)-5-hydroxy-6-methyl-6-hepten-2-yl]-7a-methyl-1,2,3,6,7,7a-hexahydro-3aH-indene-3a,4-dicarbaldehyde | C20H30O4

(3S,3aR,7S,7aR)-7-Hydroxy-3-[(2R,5R)-5-hydroxy-6-methyl-6-hepten-2-yl]-7a-methyl-1,2,3,6,7,7a-hexahydro-3aH-indene-3a,4-dicarbaldehyde

  • Molecular FormulaC20H30O4
  • Average mass334.450 Da
  • Monoisotopic mass334.214417 Da
  • ChemSpider ID27024377

  • defined stereocentres - 6 of 6 defined stereocentres

More details:

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

(3S,3aR,7S,7aR)-7-Hydroxy-3-[(2R,5R)-5-hydroxy-6-methyl-6-hepten-2-yl]-7a-methyl-1,2,3,6,7,7a-hexahydro-3aH-inden-3a,4-dicarbaldehyd [German] [ACD/IUPAC Name]
(3S,3aR,7S,7aR)-7-Hydroxy-3-[(2R,5R)-5-hydroxy-6-methyl-6-hepten-2-yl]-7a-methyl-1,2,3,6,7,7a-hexahydro-3aH-indene-3a,4-dicarbaldehyde [ACD/IUPAC Name]
(3S,3aR,7S,7aR)-7-Hydroxy-3-[(2R,5R)-5-hydroxy-6-méthyl-6-heptén-2-yl]-7a-méthyl-1,2,3,6,7,7a-hexahydro-3aH-indène-3a,4-dicarbaldéhyde [French] [ACD/IUPAC Name]
3aH-Indene-3a,4-dicarboxaldehyde, 1,2,3,6,7,7a-hexahydro-7-hydroxy-3-[(1R,4R)-4-hydroxy-1,5-dimethyl-5-hexen-1-yl]-7a-methyl-, (3S,3aR,7S,7aR)- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 482.2±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 86.1±6.0 kJ/mol
Flash Point: 259.5±25.2 °C
Index of Refraction: 1.609
Molar Refractivity: 96.6±0.3 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 2.64
ACD/LogD (pH 5.5): 2.27
ACD/BCF (pH 5.5): 31.05
ACD/KOC (pH 5.5): 407.06
ACD/LogD (pH 7.4): 2.27
ACD/BCF (pH 7.4): 31.05
ACD/KOC (pH 7.4): 407.06
Polar Surface Area: 75 Å2
Polarizability: 38.3±0.5 10-24cm3
Surface Tension: 60.3±3.0 dyne/cm
Molar Volume: 279.0±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement