ChemSpider 2D Image | 2-Chloro-2'-deoxyadenosine 5'-(tetrahydrogen triphosphate) | C10H15ClN5O12P3

2-Chloro-2'-deoxyadenosine 5'-(tetrahydrogen triphosphate)

  • Molecular FormulaC10H15ClN5O12P3
  • Average mass525.627 Da
  • Monoisotopic mass524.961853 Da
  • ChemSpider ID398887

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

2-Chlor-2'-desoxyadenosin5'-(tetrahydrogentriphosphat) [German] [ACD/IUPAC Name]
2-Chloro-2'-deoxyadenosine 5'-(tetrahydrogen triphosphate) [ACD/IUPAC Name]
2-Chloro-2'-désoxyadénosine-5'-(tétrahydrogène triphosphate) [French] [ACD/IUPAC Name]
Adenosine, 2-chloro-2'-deoxy-, 5'-(tetrahydrogen triphosphate) [ACD/Index Name]
(((2R,3S,5R)-5-(6-Amino-2-chloro-9H-purin-9-yl)-3-hydroxytetrahydrofuran-2-yl)methyl)triphosphoric acid
({[({[(2R,3S,5R)-5-(6-amino-2-chloro-9H-purin-9-yl)-3-hydroxyoxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy](hydroxy)phosphoryl}oxy)phosphonic acid
({[(2R,3S,5R)-5-(6-amino-2-chloropurin-9-yl)-3-hydroxyoxolan-2-yl]methoxy(hydroxy)phosphoryl}oxy(hydroxy)phosphoryl)oxyphosphonic acid
106867-30-5 [RN]
2-Chloro-2'-deoxyadenosine-5'-triphosphate
2-chlorodeoxyadenosine triphosphate
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

AIDS002474 [DBID]
AIDS-002474 [DBID]

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

Density: 2.6±0.1 g/cm3
Boiling Point: 845.0±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.3 mmHg at 25°C
Enthalpy of Vaporization: 128.7±3.0 kJ/mol
Flash Point: 464.9±37.1 °C
Index of Refraction: 1.879
Molar Refractivity: 93.6±0.5 cm3
#H bond acceptors: 17
#H bond donors: 7
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 3
ACD/LogP: -4.37
ACD/LogD (pH 5.5): -10.57
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -11.07
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 288 Å2
Polarizability: 37.1±0.5 10-24cm3
Surface Tension: 175.7±7.0 dyne/cm
Molar Volume: 204.4±7.0 cm3

Click to predict properties on the Chemicalize site


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