ChemSpider 2D Image | 5-(6-Oxo-3,6-dihydro-9H-purin-9-yl)pentyl {(2Z)-5-[(diaminomethylene)amino]-1,1-dihydroxy-2-pentanylidene}carbamate | C17H26N8O5

5-(6-Oxo-3,6-dihydro-9H-purin-9-yl)pentyl {(2Z)-5-[(diaminomethylene)amino]-1,1-dihydroxy-2-pentanylidene}carbamate

  • Molecular FormulaC17H26N8O5
  • Average mass422.439 Da
  • Monoisotopic mass422.202606 Da
  • ChemSpider ID95746063

  • Double-bond stereo - Double-bond stereo

More details:

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

{(2Z)-5-[(Diaminométhylène)amino]-1,1-dihydroxy-2-pentanylidène}carbamate de 5-(6-oxo-3,6-dihydro-9H-purin-9-yl)pentyle [French] [ACD/IUPAC Name]
5-(6-Oxo-3,6-dihydro-9H-purin-9-yl)pentyl {(2Z)-5-[(diaminomethylene)amino]-1,1-dihydroxy-2-pentanylidene}carbamate [ACD/IUPAC Name]
5-(6-Oxo-3,6-dihydro-9H-purin-9-yl)pentyl-{(2Z)-5-[(diaminomethylen)amino]-1,1-dihydroxy-2-pentanyliden}carbamat [German] [ACD/IUPAC Name]
Carbamic acid, N-[(1Z)-4-[(diaminomethylene)amino]-1-(dihydroxymethyl)butylidene]-, 5-(3,6-dihydro-6-oxo-9H-purin-9-yl)pentyl ester [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: 739.8±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 113.2±3.0 kJ/mol
Flash Point: 401.2±35.7 °C
Index of Refraction: 1.685
Molar Refractivity: 103.6±0.5 cm3
#H bond acceptors: 13
#H bond donors: 7
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 2
ACD/LogP: -1.84
ACD/LogD (pH 5.5): -3.65
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.64
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 203 Å2
Polarizability: 41.1±0.5 10-24cm3
Surface Tension: 70.6±7.0 dyne/cm
Molar Volume: 272.6±7.0 cm3

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