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Search term: GBBWIZKLHXYJOA (Found by InChIKey (skeleton match))
ChemSpider 2D Image | 3'-O-Phosphonato-5'-O-[(phosphonatooxy)phosphinato]adenosine | C10H11N5O13P3

3'-O-Phosphonato-5'-O-[(phosphonatooxy)phosphinato]adenosine

  • Molecular FormulaC10H11N5O13P3
  • Average mass502.144 Da
  • Monoisotopic mass501.959351 Da
  • ChemSpider ID23349619

  • Charge - Charge

    defined stereocentres - 4 of 4 defined stereocentres

More details:

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

3'-O-Phosphonato-5'-O-[(phosphonatooxy)phosphinato]adenosine
adenosinato(5-), 3'-(dihydrogen phosphate) 5'-(trihydrogen diphosphate), ion(5-)
13400-10-7 [RN]
adenosine 3'-phosphate 5'-diphosphate

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

Density:
Boiling Point: 994.3±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 151.9±3.0 kJ/mol
Flash Point: 555.1±37.1 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 18
#H bond donors: 8
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 3
ACD/LogP: -4.31
ACD/LogD (pH 5.5): -10.81
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -12.15
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 323 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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