ChemSpider 2D Image | (1aS,2S,7bR)-2,7-Dihydroxy-4-[(1R)-5-hydroxy-4-oxo-1,2,3,4-tetrahydro-1-naphthalenyl]-1a,7b-dihydronaphtho[1,2-b]oxiren-3(2H)-one | C20H16O6

(1aS,2S,7bR)-2,7-Dihydroxy-4-[(1R)-5-hydroxy-4-oxo-1,2,3,4-tetrahydro-1-naphthalenyl]-1a,7b-dihydronaphtho[1,2-b]oxiren-3(2H)-one

  • Molecular FormulaC20H16O6
  • Average mass352.337 Da
  • Monoisotopic mass352.094696 Da
  • ChemSpider ID35516888

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(1aS,2S,7bR)-2,7-Dihydroxy-4-[(1R)-5-hydroxy-4-oxo-1,2,3,4-tétrahydro-1-naphtalényl]-1a,7b-dihydronaphto[1,2-b]oxirén-3(2H)-one [French] [ACD/IUPAC Name]
(1aS,2S,7bR)-2,7-Dihydroxy-4-[(1R)-5-hydroxy-4-oxo-1,2,3,4-tetrahydro-1-naphthalenyl]-1a,7b-dihydronaphtho[1,2-b]oxiren-3(2H)-one [ACD/IUPAC Name]
(1aS,2S,7bR)-2,7-Dihydroxy-4-[(1R)-5-hydroxy-4-oxo-1,2,3,4-tetrahydro-1-naphthalinyl]-1a,7b-dihydronaphtho[1,2-b]oxiren-3(2H)-on [German] [ACD/IUPAC Name]
Naphth[1,2-b]oxiren-3(2H)-one, 1a,7b-dihydro-2,7-dihydroxy-4-[(1R)-1,2,3,4-tetrahydro-5-hydroxy-4-oxo-1-naphthalenyl]-, (1aS,2S,7bR)- [ACD/Index Name]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 575.2±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 90.6±3.0 kJ/mol
Flash Point: 211.2±23.6 °C
Index of Refraction: 1.732
Molar Refractivity: 89.5±0.3 cm3
#H bond acceptors: 6
#H bond donors: 3
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 2.80
ACD/LogD (pH 5.5): 2.42
ACD/BCF (pH 5.5): 40.69
ACD/KOC (pH 5.5): 493.65
ACD/LogD (pH 7.4): 2.35
ACD/BCF (pH 7.4): 34.82
ACD/KOC (pH 7.4): 422.43
Polar Surface Area: 107 Å2
Polarizability: 35.5±0.5 10-24cm3
Surface Tension: 82.2±3.0 dyne/cm
Molar Volume: 223.9±3.0 cm3

Click to predict properties on the Chemicalize site


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