ChemSpider 2D Image | (7R,8S,9S,10S)-(7,8,9,10-~13~C_4_)-7,8,9,10-Tetrahydrobenzo[pqr]tetraphene-7,8,9,10-tetrol | C1613C4H16O4

(7R,8S,9S,10S)-(7,8,9,10-13C4)-7,8,9,10-Tetrahydrobenzo[pqr]tetraphene-7,8,9,10-tetrol

  • Molecular FormulaC1613C4H16O4
  • Average mass324.309 Da
  • Monoisotopic mass324.118286 Da
  • ChemSpider ID58785414

  • defined stereocentres - 4 of 4 defined stereocentres

    Non-standard isotope - Non-standard isotope

More details:

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

(7R,8S,9S,10S)-(7,8,9,10-13C4)-7,8,9,10-Tetrahydrobenzo[pqr]tetraphen-7,8,9,10-tetrol [German] [ACD/IUPAC Name]
(7R,8S,9S,10S)-(7,8,9,10-13C4)-7,8,9,10-Tetrahydrobenzo[pqr]tetraphene-7,8,9,10-tetrol [ACD/IUPAC Name]
(7R,8S,9S,10S)-(7,8,9,10-13C4)-7,8,9,10-Tétrahydrobenzo[pqr]tétraphène-7,8,9,10-tétrol [French] [ACD/IUPAC Name]
Benzo[a]pyrene-7,8,9,10-tetrol-7,8,9,10-13C4, 7,8,9,10-tetrahydro-, (7R,8S,9S,10S)- [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:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.959
Molar Refractivity: 95.6±0.3 cm3
#H bond acceptors:
#H bond donors:
#Freely Rotating Bonds:
#Rule of 5 Violations:
ACD/LogP:
ACD/LogD (pH 5.5):
ACD/BCF (pH 5.5):
ACD/KOC (pH 5.5):
ACD/LogD (pH 7.4):
ACD/BCF (pH 7.4):
ACD/KOC (pH 7.4):
Polar Surface Area:
Polarizability: 37.9±0.5 10-24cm3
Surface Tension: 88.1±3.0 dyne/cm
Molar Volume: 196.8±3.0 cm3

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