ChemSpider 2D Image | 2',3'-O-Benzylideneadenosine 5'-(dihydrogen phosphate) | C17H18N5O7P

2',3'-O-Benzylideneadenosine 5'-(dihydrogen phosphate)

  • Molecular FormulaC17H18N5O7P
  • Average mass435.328 Da
  • Monoisotopic mass435.094391 Da
  • ChemSpider ID25035658

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

2',3'-O-Benzylidenadenosin5'-(dihydrogenphosphat) [German] [ACD/IUPAC Name]
2',3'-O-Benzylideneadenosine 5'-(dihydrogen phosphate) [ACD/IUPAC Name]
2',3'-O-Benzylidèneadénosine-5'-(dihydrogène phosphate) [French] [ACD/IUPAC Name]
Adenosine, 2',3'-O-(phenylmethylene)-, 5'-(dihydrogen phosphate) [ACD/Index Name]

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

Density: 1.9±0.1 g/cm3
Boiling Point: 772.5±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.8 mmHg at 25°C
Enthalpy of Vaporization: 118.0±3.0 kJ/mol
Flash Point: 421.0±35.7 °C
Index of Refraction: 1.830
Molar Refractivity: 98.1±0.5 cm3
#H bond acceptors: 12
#H bond donors: 4
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 2.30
ACD/LogD (pH 5.5): -3.03
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.01
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 174 Å2
Polarizability: 38.9±0.5 10-24cm3
Surface Tension: 98.1±7.0 dyne/cm
Molar Volume: 223.5±7.0 cm3

Click to predict properties on the Chemicalize site


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