ChemSpider 2D Image | 9-{5-[(3-Amino-3-carboxypropyl)(methyl)amino]-5-deoxypentofuranosyl}-9H-purin-6-amine | C15H23N7O5

9-{5-[(3-Amino-3-carboxypropyl)(methyl)amino]-5-deoxypentofuranosyl}-9H-purin-6-amine

  • Molecular FormulaC15H23N7O5
  • Average mass381.387 Da
  • Monoisotopic mass381.176056 Da
  • ChemSpider ID16744191

More details:

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

9-{5-[(3-Amino-3-carboxypropyl)(methyl)amino]-5-deoxypentofuranosyl}-9H-purin-6-amine [ACD/IUPAC Name]
9-{5-[(3-Amino-3-carboxypropyl)(methyl)amino]-5-desoxypentofuranosyl}-9H-purin-6-amin [German] [ACD/IUPAC Name]
9-{5-[(3-Amino-3-carboxypropyl)(méthyl)amino]-5-désoxypentofuranosyl}-9H-purin-6-amine [French] [ACD/IUPAC Name]
9H-Purin-6-amine, 9-[5-[(3-amino-3-carboxypropyl)methylamino]-5-deoxypentofuranosyl]- [ACD/Index Name]
125-12-2 [RN]
129828-73-5 [RN]

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

RRT [DBID]

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

Density: 1.8±0.1 g/cm3
Boiling Point: 744.1±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 113.9±3.0 kJ/mol
Flash Point: 403.8±35.7 °C
Index of Refraction: 1.785
Molar Refractivity: 89.5±0.5 cm3
#H bond acceptors: 12
#H bond donors: 7
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: -0.37
ACD/LogD (pH 5.5): -4.55
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.30
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 186 Å2
Polarizability: 35.5±0.5 10-24cm3
Surface Tension: 85.1±7.0 dyne/cm
Molar Volume: 212.5±7.0 cm3

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