ChemSpider 2D Image | dATP?S | C10H16N5O11P3S

dATP?S

  • Molecular FormulaC10H16N5O11P3S
  • Average mass507.247 Da
  • Monoisotopic mass506.977997 Da
  • ChemSpider ID170181
  • defined stereocentres - 3 of 4 defined stereocentres


More details:






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

2'-Deoxy-5'-O-(hydroxy{[hydroxy(phosphonooxy)phosphoryl]oxy}phosphorothioyl)adenosine [ACD/IUPAC Name]
2'-Desoxy-5'-O-(hydroxy{[hydroxy(phosphonooxy)phosphoryl]oxy}phosphorothioyl)adenosin [German] [ACD/IUPAC Name]
2'-Désoxy-5'-O-(hydroxy{[hydroxy(phosphonooxy)phosphoryl]oxy}phosphorothioyl)adénosine [French] [ACD/IUPAC Name]
Adenosine, 2'-deoxy-5'-O-[hydroxy[[hydroxy(phosphonooxy)phosphinyl]oxy]phosphinothioyl]- [ACD/Index Name]
dATP?S
(Sp-)2'- Deoxyadenosine- 5'- O- (α-thiotriphosphate)
[[(2R,3S,5R)-5-(6-aminopurin-9-yl)-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphinothioyl] phosphono hydrogen phosphate
2'-Deoxyadenosine 5'-O-(1-thiotriphosphate)
64145-28-4 [RN]
87092-22-6 [RN]
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

AIDS211842 [DBID]
AIDS-211842 [DBID]

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

Density: 2.5±0.1 g/cm3
Boiling Point: 903.5±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 137.6±3.0 kJ/mol
Flash Point: 500.2±37.1 °C
Index of Refraction: 1.891
Molar Refractivity: 95.4±0.5 cm3
#H bond acceptors: 16
#H bond donors: 7
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 3
ACD/LogP: -4.33
ACD/LogD (pH 5.5): -9.97
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -10.60
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 303 Å2
Polarizability: 37.8±0.5 10-24cm3
Surface Tension: 163.5±7.0 dyne/cm
Molar Volume: 206.6±7.0 cm3

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