ChemSpider 2D Image | N-[(7R,8S,9R,10S)-7,8,9-Trihydroxy-7,8,9,10-tetrahydrobenzo[pqr]tetraphen-10-yl]guanosine | C30H27N5O8

N-[(7R,8S,9R,10S)-7,8,9-Trihydroxy-7,8,9,10-tetrahydrobenzo[pqr]tetraphen-10-yl]guanosine

  • Molecular FormulaC30H27N5O8
  • Average mass585.564 Da
  • Monoisotopic mass585.185974 Da
  • ChemSpider ID111178

  • defined stereocentres - 8 of 8 defined stereocentres

More details:

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

Guanosine, N-[(7R,8S,9R,10S)-7,8,9,10-tetrahydro-7,8,9-trihydroxybenzo[a]pyren-10-yl]- [ACD/Index Name]
N-[(7R,8S,9R,10S)-7,8,9-Trihydroxy-7,8,9,10-tetrahydrobenzo[pqr]tetraphen-10-yl]guanosin [German] [ACD/IUPAC Name]
N-[(7R,8S,9R,10S)-7,8,9-Trihydroxy-7,8,9,10-tetrahydrobenzo[pqr]tetraphen-10-yl]guanosine [ACD/IUPAC Name]
N-[(7R,8S,9R,10S)-7,8,9-Trihydroxy-7,8,9,10-tétrahydrobenzo[pqr]tétraphén-10-yl]guanosine [French] [ACD/IUPAC Name]
60653-69-2 [RN]
60872-70-0 [RN]
B(a)P-N(2)-Gua
Guanosine, N-(7,8,9,10-tetrahydro-7,8,9-trihydroxybenzo(a)pyren-10-yl)-, (7R-(7α,8β,9β,10α))-
Guanosine, N-(7,8,9,10-tetrahydro-7,8,9-trihydroxybenzo(a)pyren-10-yl)-, (7S-(7α,8β,9β,10α))-
N(2)-(7,8,9,10-Tetrahydro-7,8,9-trihydroxybenzo(a)pyren-10-yl)guanine

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

Density: 1.9±0.1 g/cm3
Boiling Point: 1009.5±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 154.4±3.0 kJ/mol
Flash Point: 564.4±37.1 °C
Index of Refraction: 1.925
Molar Refractivity: 143.9±0.5 cm3
#H bond acceptors: 13
#H bond donors: 8
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 3
ACD/LogP: 0.41
ACD/LogD (pH 5.5): 0.47
ACD/BCF (pH 5.5): 1.31
ACD/KOC (pH 5.5): 41.59
ACD/LogD (pH 7.4): 0.49
ACD/BCF (pH 7.4): 1.38
ACD/KOC (pH 7.4): 43.81
Polar Surface Area: 202 Å2
Polarizability: 57.1±0.5 10-24cm3
Surface Tension: 94.6±7.0 dyne/cm
Molar Volume: 303.5±7.0 cm3

Click to predict properties on the Chemicalize site


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