ChemSpider 2D Image | (1aS,2S,3S,11dS)-1a,2,3,11d-Tetrahydrobenzo[5,6]phenanthro[3,4-b]oxirene-2,3-diol | C18H14O3

(1aS,2S,3S,11dS)-1a,2,3,11d-Tetrahydrobenzo[5,6]phenanthro[3,4-b]oxirene-2,3-diol

  • Molecular FormulaC18H14O3
  • Average mass278.302 Da
  • Monoisotopic mass278.094299 Da
  • ChemSpider ID25994849
  • defined stereocentres - 4 of 4 defined stereocentres


More details:






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

(1aS,2S,3S,11dS)-1a,2,3,11d-Tetrahydrobenzo[5,6]phenanthro[3,4-b]oxiren-2,3-diol [German] [ACD/IUPAC Name]
(1aS,2S,3S,11dS)-1a,2,3,11d-Tetrahydrobenzo[5,6]phenanthro[3,4-b]oxirene-2,3-diol [ACD/IUPAC Name]
(1aS,2S,3S,11dS)-1a,2,3,11d-Tétrahydrobenzo[5,6]phénanthro[3,4-b]oxirène-2,3-diol [French] [ACD/IUPAC Name]
Benzo[5,6]phenanthro[3,4-b]oxirene-2,3-diol, 1a,2,3,11d-tetrahydro-, (1aS,2S,3S,11dS)- [ACD/Index Name]
BENZO(5,6)PHENANTHRO[3,4-B]OXIRENE-5,6-DIOL,5,6,6A,7A-TETRAHYDRO-,(5R,6S,6AS,7AR)-REL-

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.5±0.1 g/cm3
Boiling Point: 567.5±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 89.6±3.0 kJ/mol
Flash Point: 297.0±30.1 °C
Index of Refraction: 1.815
Molar Refractivity: 81.6±0.3 cm3
#H bond acceptors: 3
#H bond donors: 2
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 3.33
ACD/LogD (pH 5.5): 2.83
ACD/BCF (pH 5.5): 83.64
ACD/KOC (pH 5.5): 827.29
ACD/LogD (pH 7.4): 2.83
ACD/BCF (pH 7.4): 83.64
ACD/KOC (pH 7.4): 827.28
Polar Surface Area: 53 Å2
Polarizability: 32.3±0.5 10-24cm3
Surface Tension: 71.8±3.0 dyne/cm
Molar Volume: 188.3±3.0 cm3

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