ChemSpider 2D Image | 2-Amino-9-[5-O-(hydroxy{[hydroxy(thiophosphonooxy)phosphoryl]oxy}phosphoryl)pentofuranosyl]-3,9-dihydro-6H-purin-6-one | C10H16N5O13P3S

2-Amino-9-[5-O-(hydroxy{[hydroxy(thiophosphonooxy)phosphoryl]oxy}phosphoryl)pentofuranosyl]-3,9-dihydro-6H-purin-6-one

  • Molecular FormulaC10H16N5O13P3S
  • Average mass539.246 Da
  • Monoisotopic mass538.967834 Da
  • ChemSpider ID1699

More details:






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

2-Amino-9-[5-O-(hydroxy{[hydroxy(thiophosphonooxy)phosphoryl]oxy}phosphoryl)pentofuranosyl]-3,9-dihydro-6H-purin-6-on [German] [ACD/IUPAC Name]
2-Amino-9-[5-O-(hydroxy{[hydroxy(thiophosphonooxy)phosphoryl]oxy}phosphoryl)pentofuranosyl]-3,9-dihydro-6H-purin-6-one [ACD/IUPAC Name]
2-Amino-9-[5-O-(hydroxy{[hydroxy(thiophosphonooxy)phosphoryl]oxy}phosphoryl)pentofuranosyl]-3,9-dihydro-6H-purin-6-one [French] [ACD/IUPAC Name]
6H-purin-6-one, 2-amino-3,9-dihydro-9-[5-O-[hydroxy[[hydroxy[(hydroxymercaptophosphinyl)oxy]phosphinyl]oxy]phosphinyl]pentofuranosyl]-
6H-Purin-6-one, 2-amino-9-[5-O-[[[[(dihydroxyphosphinothioyl)oxy]hydroxyphosphinyl]oxy]hydroxyphosphinyl]pentofuranosyl]-3,9-dihydro- [ACD/Index Name]
({[({[5-(2-amino-6-oxo-6,9-dihydro-3H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy](hydroxy)phosphoryl}oxy)(sulfanylidene)phosphonous acid
108964-33-6 [RN]
GTP&γ
GTP&γ;S
GTP[S]
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 2.7±0.1 g/cm3
Boiling Point: 1014.2±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 155.1±3.0 kJ/mol
Flash Point: 567.1±37.1 °C
Index of Refraction: 1.950
Molar Refractivity: 97.1±0.5 cm3
#H bond acceptors: 18
#H bond donors: 9
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 3
ACD/LogP: -3.78
ACD/LogD (pH 5.5): -10.15
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -10.68
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 339 Å2
Polarizability: 38.5±0.5 10-24cm3
Surface Tension: 193.6±7.0 dyne/cm
Molar Volume: 201.0±7.0 cm3

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