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Search term: 71360618 (Found by CSID)
ChemSpider 2D Image | lithocarpinol B | C25H28O6

lithocarpinol B

  • Molecular FormulaC25H28O6
  • Average mass424.486 Da
  • Monoisotopic mass424.188599 Da
  • ChemSpider ID71360618

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(2S,3R)-3,5-Dihydroxy-3-[(3S)-3-(2-hydroxy-2-propanyl)-7-methyl-2,3-dihydro-1,4-benzodioxin-5-yl]-2-isopropenyl-4-indancarbaldehyd [German] [ACD/IUPAC Name]
(2S,3R)-3,5-Dihydroxy-3-[(3S)-3-(2-hydroxy-2-propanyl)-7-methyl-2,3-dihydro-1,4-benzodioxin-5-yl]-2-isopropenyl-4-indanecarbaldehyde [ACD/IUPAC Name]
(2S,3R)-3,5-Dihydroxy-3-[(3S)-3-(2-hydroxy-2-propanyl)-7-méthyl-2,3-dihydro-1,4-benzodioxin-5-yl]-2-isopropényl-4-indanecarbaldéhyde [French] [ACD/IUPAC Name]
1H-Indene-4-carboxaldehyde, 3-[(3S)-2,3-dihydro-3-(1-hydroxy-1-methylethyl)-7-methyl-1,4-benzodioxin-5-yl]-2,3-dihydro-3,5-dihydroxy-2-(1-methylethenyl)-, (2S,3R)- [ACD/Index Name]
lithocarpinol B

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

Density: 1.3±0.1 g/cm3
Boiling Point: 579.7±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 91.2±3.0 kJ/mol
Flash Point: 195.2±23.6 °C
Index of Refraction: 1.637
Molar Refractivity: 117.1±0.3 cm3
#H bond acceptors: 6
#H bond donors: 3
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 3.34
ACD/LogD (pH 5.5): 3.49
ACD/BCF (pH 5.5): 262.69
ACD/KOC (pH 5.5): 1876.03
ACD/LogD (pH 7.4): 3.43
ACD/BCF (pH 7.4): 232.25
ACD/KOC (pH 7.4): 1658.64
Polar Surface Area: 96 Å2
Polarizability: 46.4±0.5 10-24cm3
Surface Tension: 58.8±3.0 dyne/cm
Molar Volume: 326.2±3.0 cm3

Click to predict properties on the Chemicalize site


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