ChemSpider 2D Image | Triphosphoric acid, mono[[(2S,3R,4R)-4-(2-amino-3,6-dihydro-6-oxo-9H-purin-9-yl)-3-(hydroxymethyl)-2-oxetanyl]methyl] ester | C10H16N5O13P3

Triphosphoric acid, mono[[(2S,3R,4R)-4-(2-amino-3,6-dihydro-6-oxo-9H-purin-9-yl)-3-(hydroxymethyl)-2-oxetanyl]methyl] ester

  • Molecular FormulaC10H16N5O13P3
  • Average mass507.181 Da
  • Monoisotopic mass506.995758 Da
  • ChemSpider ID399909
  • defined stereocentres - 3 of 3 defined stereocentres


More details:






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

Triphosphoric acid, mono[[(2S,3R,4R)-4-(2-amino-3,6-dihydro-6-oxo-9H-purin-9-yl)-3-(hydroxymethyl)-2-oxetanyl]methyl] ester [ACD/Index Name]
133386-21-7 [RN]
Oxetanocin G triphosphate
Oxt-GTP

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

AIDS004295 [DBID]
AIDS-004295 [DBID]

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

Density: 2.6±0.1 g/cm3
Boiling Point: 968.4±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 147.8±3.0 kJ/mol
Flash Point: 539.4±37.1 °C
Index of Refraction: 1.904
Molar Refractivity: 89.8±0.5 cm3
#H bond acceptors: 18
#H bond donors: 8
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 3
ACD/LogP: -5.28
ACD/LogD (pH 5.5): -10.87
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -11.39
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 304 Å2
Polarizability: 35.6±0.5 10-24cm3
Surface Tension: 197.4±7.0 dyne/cm
Molar Volume: 192.4±7.0 cm3

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