ChemSpider 2D Image | N-Benzyladenosine 5'-(trihydrogen diphosphate) | C17H21N5O10P2

N-Benzyladenosine 5'-(trihydrogen diphosphate)

  • Molecular FormulaC17H21N5O10P2
  • Average mass517.324 Da
  • Monoisotopic mass517.076355 Da
  • ChemSpider ID394054
  • defined stereocentres - 4 of 4 defined stereocentres


More details:






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

Adenosine, N-(phenylmethyl)-, 5'-(trihydrogen diphosphate) [ACD/Index Name]
N-Benzyladenosin5'-(trihydrogendiphosphat) [German] [ACD/IUPAC Name]
N-Benzyladenosine 5'-(trihydrogen diphosphate) [ACD/IUPAC Name]
N-Benzyladénosine-5'-(trihydrogène diphosphate) [French] [ACD/IUPAC Name]
40811-89-0 [RN]
N6-BENZYL ADENOSINE-5'-DIPHOSPHATE
NBS

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

LI7 [DBID]

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

Density: 2.0±0.1 g/cm3
Boiling Point: 876.8±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 133.5±3.0 kJ/mol
Flash Point: 484.1±37.1 °C
Index of Refraction: 1.784
Molar Refractivity: 110.7±0.5 cm3
#H bond acceptors: 15
#H bond donors: 6
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 3
ACD/LogP: -0.84
ACD/LogD (pH 5.5): -7.12
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -7.68
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 238 Å2
Polarizability: 43.9±0.5 10-24cm3
Surface Tension: 107.6±7.0 dyne/cm
Molar Volume: 262.8±7.0 cm3

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