ChemSpider 2D Image | 2'-Deoxy-N-[(7S,8R,9S,10R)-7,8,9-trihydroxy-7,8,9,10-tetrahydrobenzo[pqr]tetraphen-10-yl]guanosine | C30H27N5O7

2'-Deoxy-N-[(7S,8R,9S,10R)-7,8,9-trihydroxy-7,8,9,10-tetrahydrobenzo[pqr]tetraphen-10-yl]guanosine

  • Molecular FormulaC30H27N5O7
  • Average mass569.565 Da
  • Monoisotopic mass569.191040 Da
  • ChemSpider ID162946

  • defined stereocentres - 7 of 7 defined stereocentres

More details:

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

2'-Deoxy-N-[(7S,8R,9S,10R)-7,8,9-trihydroxy-7,8,9,10-tetrahydrobenzo[pqr]tetraphen-10-yl]guanosine [ACD/IUPAC Name]
2'-Desoxy-N-[(7S,8R,9S,10R)-7,8,9-trihydroxy-7,8,9,10-tetrahydrobenzo[pqr]tetraphen-10-yl]guanosin [German] [ACD/IUPAC Name]
2'-Désoxy-N-[(7S,8R,9S,10R)-7,8,9-trihydroxy-7,8,9,10-tétrahydrobenzo[pqr]tétraphén-10-yl]guanosine [French] [ACD/IUPAC Name]
Guanosine, 2'-deoxy-N-[(7S,8R,9S,10R)-7,8,9,10-tetrahydro-7,8,9-trihydroxybenzo[a]pyren-10-yl]- [ACD/Index Name]
(-)-trans-anti-N2-BPDE-dG
(+)-trans-anti-BPDE-N2-dG
85026-87-5 [RN]

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

Density: 1.9±0.1 g/cm3
Boiling Point: 978.7±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 149.4±3.0 kJ/mol
Flash Point: 545.7±37.1 °C
Index of Refraction: 1.905
Molar Refractivity: 143.1±0.5 cm3
#H bond acceptors: 12
#H bond donors: 7
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 3
ACD/LogP: 0.77
ACD/LogD (pH 5.5): 0.95
ACD/BCF (pH 5.5): 3.08
ACD/KOC (pH 5.5): 76.69
ACD/LogD (pH 7.4): 0.97
ACD/BCF (pH 7.4): 3.22
ACD/KOC (pH 7.4): 80.31
Polar Surface Area: 182 Å2
Polarizability: 56.7±0.5 10-24cm3
Surface Tension: 89.0±7.0 dyne/cm
Molar Volume: 306.3±7.0 cm3

Click to predict properties on the Chemicalize site


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