ChemSpider 2D Image | phosphoaminophosphonic acid 3'-O-(N-methylanthraniloyl-2'-deoxyguanylate ester | C18H24N7O13P3

phosphoaminophosphonic acid 3'-O-(N-methylanthraniloyl-2'-deoxyguanylate ester

  • Molecular FormulaC18H24N7O13P3
  • Average mass639.344 Da
  • Monoisotopic mass639.064514 Da
  • ChemSpider ID393376
  • defined stereocentres - 3 of 3 defined stereocentres


More details:






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

2'-Deoxy-5'-O-[(S)-hydroxy{[(R)-hydroxy(phosphonoamino)phosphoryl]oxy}phosphoryl]-3'-O-[2-(methylamino)benzoyl]guanosine [ACD/IUPAC Name]
2'-Desoxy-5'-O-[(S)-hydroxy{[(R)-hydroxy(phosphonoamino)phosphoryl]oxy}phosphoryl]-3'-O-[2-(methylamino)benzoyl]guanosin [German] [ACD/IUPAC Name]
2'-Désoxy-5'-O-[(S)-hydroxy{[(R)-hydroxy(phosphonoamino)phosphoryl]oxy}phosphoryl]-3'-O-[2-(méthylamino)benzoyl]guanosine [French] [ACD/IUPAC Name]
Guanosine, 2'-deoxy-5'-O-[(S)-hydroxy[[(R)-hydroxy(phosphonoamino)phosphinyl]oxy]phosphinyl]-, 3'-[2-(methylamino)benzoate] [ACD/Index Name]
phosphoaminophosphonic acid 3'-O-(N-methylanthraniloyl-2'-deoxyguanylate ester
Agn

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 2.1±0.1 g/cm3
Boiling Point: 1002.0±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 153.2±3.0 kJ/mol
Flash Point: 559.8±37.1 °C
Index of Refraction: 1.813
Molar Refractivity: 130.1±0.5 cm3
#H bond acceptors: 20
#H bond donors: 9
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 3
ACD/LogP: -2.63
ACD/LogD (pH 5.5): -9.02
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -9.49
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 325 Å2
Polarizability: 51.6±0.5 10-24cm3
Surface Tension: 126.0±7.0 dyne/cm
Molar Volume: 300.6±7.0 cm3

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