ChemSpider 2D Image | (3xi)-2'-Chloro-2'-deoxyadenosine 5'-(dihydrogen phosphate) | C10H13ClN5O6P

(3ξ)-2'-Chloro-2'-deoxyadenosine 5'-(dihydrogen phosphate)

  • Molecular FormulaC10H13ClN5O6P
  • Average mass365.667 Da
  • Monoisotopic mass365.029205 Da
  • ChemSpider ID57491562

  • defined stereocentres - 3 of 4 defined stereocentres

More details:

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

(3ξ)-2'-Chlor-2'-desoxyadenosin5'-(dihydrogenphosphat) [German] [ACD/IUPAC Name]
(3ξ)-2'-Chloro-2'-deoxyadenosine 5'-(dihydrogen phosphate) [ACD/IUPAC Name]
(3ξ)-2'-Chloro-2'-désoxyadénosine-5'-(dihydrogène phosphate) [French] [ACD/IUPAC Name]
Adenosine, 2'-chloro-2'-deoxy-, 5'-(dihydrogen phosphate), (3ξ)- [ACD/Index Name]
58865-95-5 [RN]

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

Density: 2.3±0.1 g/cm3
Boiling Point: 799.4±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.0 mmHg at 25°C
Enthalpy of Vaporization: 121.9±3.0 kJ/mol
Flash Point: 437.2±35.7 °C
Index of Refraction: 1.874
Molar Refractivity: 73.7±0.5 cm3
#H bond acceptors: 11
#H bond donors: 5
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 2
ACD/LogP: -0.86
ACD/LogD (pH 5.5): -5.09
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -6.10
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 176 Å2
Polarizability: 29.2±0.5 10-24cm3
Surface Tension: 123.3±7.0 dyne/cm
Molar Volume: 161.7±7.0 cm3

Click to predict properties on the Chemicalize site


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