ChemSpider 2D Image | 7-[(2R)-2-Hydroxy-3-isopropoxypropyl]-3-methyl-8-[(2E)-2-(3-nitrobenzylidene)hydrazino]-3,7-dihydro-1H-purine-2,6-dione | C19H23N7O6

7-[(2R)-2-Hydroxy-3-isopropoxypropyl]-3-methyl-8-[(2E)-2-(3-nitrobenzylidene)hydrazino]-3,7-dihydro-1H-purine-2,6-dione

  • Molecular FormulaC19H23N7O6
  • Average mass445.429 Da
  • Monoisotopic mass445.170990 Da
  • ChemSpider ID62605817

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 1 of 1 defined stereocentres

More details:

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

7-[(2R)-2-Hydroxy-3-isopropoxypropyl]-3-methyl-8-[(2E)-2-(3-nitrobenzyliden)hydrazino]-3,7-dihydro-1H-purin-2,6-dion [German] [ACD/IUPAC Name]
7-[(2R)-2-Hydroxy-3-isopropoxypropyl]-3-methyl-8-[(2E)-2-(3-nitrobenzylidene)hydrazino]-3,7-dihydro-1H-purine-2,6-dione [ACD/IUPAC Name]
7-[(2R)-2-Hydroxy-3-isopropoxypropyl]-3-méthyl-8-[(2E)-2-(3-nitrobenzylidène)hydrazino]-3,7-dihydro-1H-purine-2,6-dione [French] [ACD/IUPAC Name]
Benzaldehyde, 3-nitro-, 1-[2-[2,3,6,7-tetrahydro-7-[(2R)-2-hydroxy-3-(1-methylethoxy)propyl]-3-methyl-2,6-dioxo-1H-purin-8-yl]hydrazone] [ACD/Index Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.684
Molar Refractivity: 111.6±0.5 cm3
#H bond acceptors: 13
#H bond donors: 3
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 1
ACD/LogP: 1.94
ACD/LogD (pH 5.5): 2.17
ACD/BCF (pH 5.5): 26.28
ACD/KOC (pH 5.5): 361.23
ACD/LogD (pH 7.4): 2.17
ACD/BCF (pH 7.4): 26.15
ACD/KOC (pH 7.4): 359.45
Polar Surface Area: 167 Å2
Polarizability: 44.3±0.5 10-24cm3
Surface Tension: 63.4±7.0 dyne/cm
Molar Volume: 294.1±7.0 cm3

Click to predict properties on the Chemicalize site


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