ChemSpider 2D Image | MFCD00620753 | C23H31N7O4

MFCD00620753

  • Molecular FormulaC23H31N7O4
  • Average mass469.537 Da
  • Monoisotopic mass469.243744 Da
  • ChemSpider ID21492538

  • Double-bond stereo - Double-bond stereo

More details:

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

1H-Purine-2,6-dione, 3,7-dihydro-3-methyl-8-[(2Z)-2-[1-(3-nitrophenyl)ethylidene]hydrazinyl]-7-nonyl- [ACD/Index Name]
3-Methyl-8-{(2Z)-2-[1-(3-nitrophenyl)ethyliden]hydrazino}-7-nonyl-3,7-dihydro-1H-purin-2,6-dion [German] [ACD/IUPAC Name]
3-Methyl-8-{(2Z)-2-[1-(3-nitrophenyl)ethylidene]hydrazino}-7-nonyl-3,7-dihydro-1H-purine-2,6-dione [ACD/IUPAC Name]
3-Méthyl-8-{(2Z)-2-[1-(3-nitrophényl)éthylidène]hydrazino}-7-nonyl-3,7-dihydro-1H-purine-2,6-dione [French] [ACD/IUPAC Name]
MFCD00620753
3-ME-8-(N'-(1-(3-NITRO-PH)-ETHYLIDENE)HYDRAZINO)-7-NONYL-3,7-2H-PURINE-2,6-DIONE

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

Density: 1.3±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.640
Molar Refractivity: 127.8±0.5 cm3
#H bond acceptors: 11
#H bond donors: 2
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 2
ACD/LogP: 5.54
ACD/LogD (pH 5.5): 6.08
ACD/BCF (pH 5.5): 24403.29
ACD/KOC (pH 5.5): 48096.46
ACD/LogD (pH 7.4): 6.07
ACD/BCF (pH 7.4): 24308.35
ACD/KOC (pH 7.4): 47909.36
Polar Surface Area: 137 Å2
Polarizability: 50.7±0.5 10-24cm3
Surface Tension: 53.6±7.0 dyne/cm
Molar Volume: 354.6±7.0 cm3

Click to predict properties on the Chemicalize site


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