ChemSpider 2D Image | 2-hydroxy-dATP | C10H16N5O13P3

2-hydroxy-dATP

  • Molecular FormulaC10H16N5O13P3
  • Average mass507.181 Da
  • Monoisotopic mass506.995758 Da
  • ChemSpider ID8544388

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

2'-Deoxy-2-oxo-2-hydroadenosine 5'-(tetrahydrogen triphosphate) [ACD/IUPAC Name]
2'-Desoxy-2-oxo-2-hydroadenosin5'-(tetrahydrogentriphosphat) [German] [ACD/IUPAC Name]
2'-Désoxy-2-oxo-2-hydroadénosine-5'-(tétrahydrogène triphosphate) [French] [ACD/IUPAC Name]
2-hydroxy-dATP
Adenosine, 2'-deoxy-2-hydroxy-, 5'-(tetrahydrogen triphosphate) [ACD/Index Name]
({[({[(2R,3S,5R)-5-(6-amino-2-hydroxy-9H-purin-9-yl)-3-hydroxyoxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy](hydroxy)phosphoryl}oxy)phosphonic acid
({[(2R,3S,5R)-5-(6-amino-2-hydroxypurin-9-yl)-3-hydroxyoxolan-2-yl]methoxy(hydroxy)phosphoryl}oxy(hydroxy)phosphoryl)oxyphosphonic acid
[[(2r,3s,5r)-5-(6-Azanyl-2-Oxidanylidene-1h-Purin-9-Yl)-3-Oxidanyl-Oxolan-2-Yl]methoxy-Oxidanyl-Phosphoryl] Phosphono Hydrogen Phosphate
146088-00-8 [RN]
150668-64-7 [RN]
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

  • Miscellaneous

    • Chemical Class:

      A purine 2'-deoxyribonucleoside 5'-triphosphate in which the 2'-deoxyribonucleoside moiety is 2'-deoxy-2-hydroxyadenosine. ChEBI CHEBI:63208

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

Density: 2.6±0.1 g/cm3
Boiling Point: 1030.1±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 157.7±3.0 kJ/mol
Flash Point: 576.8±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: 8
#Rule of 5 Violations: 3
ACD/LogP: -6.74
ACD/LogD (pH 5.5): -11.95
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -12.46
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 309 Å2
Polarizability: 35.6±0.5 10-24cm3
Surface Tension: 197.4±7.0 dyne/cm
Molar Volume: 192.4±7.0 cm3

Click to predict properties on the Chemicalize site


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