ChemSpider 2D Image | (2E)-2-[(3-Aminobenzo[pqr]tetraphen-6-yl)imino]-9-(2-deoxy-beta-L-erythro-pentofuranosyl)-1,2,3,9-tetrahydro-6H-purin-6-one | C30H24N6O4

(2E)-2-[(3-Aminobenzo[pqr]tetraphen-6-yl)imino]-9-(2-deoxy-β-L-erythro-pentofuranosyl)-1,2,3,9-tetrahydro-6H-purin-6-one

  • Molecular FormulaC30H24N6O4
  • Average mass532.549 Da
  • Monoisotopic mass532.185913 Da
  • ChemSpider ID68024370

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(2E)-2-[(3-Aminobenzo[pqr]tetraphen-6-yl)imino]-9-(2-deoxy-β-L-erythro-pentofuranosyl)-1,2,3,9-tetrahydro-6H-purin-6-one [ACD/IUPAC Name]
(2E)-2-[(3-Aminobenzo[pqr]tetraphen-6-yl)imino]-9-(2-desoxy-β-L-erythro-pentofuranosyl)-1,2,3,9-tetrahydro-6H-purin-6-on [German] [ACD/IUPAC Name]
(2E)-2-[(3-Aminobenzo[pqr]tétraphén-6-yl)imino]-9-(2-désoxy-β-L-érythro-pentofuranosyl)-1,2,3,9-tétrahydro-6H-purin-6-one [French] [ACD/IUPAC Name]
6H-Purin-6-one, 2-[(3-aminobenzo[a]pyren-6-yl)imino]-9-(2-deoxy-β-L-erythro-pentofuranosyl)-1,2,3,9-tetrahydro-, (2E)- [ACD/Index Name]

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

Density: 1.7±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.879
Molar Refractivity: 142.4±0.5 cm3
#H bond acceptors: 10
#H bond donors: 6
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 3
ACD/LogP: 2.56
ACD/LogD (pH 5.5): 2.52
ACD/BCF (pH 5.5): 43.75
ACD/KOC (pH 5.5): 465.89
ACD/LogD (pH 7.4): 2.68
ACD/BCF (pH 7.4): 63.74
ACD/KOC (pH 7.4): 678.77
Polar Surface Area: 147 Å2
Polarizability: 56.5±0.5 10-24cm3
Surface Tension: 79.9±7.0 dyne/cm
Molar Volume: 311.3±7.0 cm3

Click to predict properties on the Chemicalize site


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