ChemSpider 2D Image | P(1),P(2)-bis(5'-adenosyl) triphosphate | C20H27N10O16P3

P(1),P(2)-bis(5'-adenosyl) triphosphate

  • Molecular FormulaC20H27N10O16P3
  • Average mass756.407 Da
  • Monoisotopic mass756.081909 Da
  • ChemSpider ID389266

  • defined stereocentres - 8 of 9 defined stereocentres

More details:

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

P(1),P(2)-bis(5'-adenosyl) triphosphate
P(1),P(2)-bis(5'-adenosyl) triphosphate
P(1),P(2)-bis(5'-adenosyl) trihydrogen triphosphate
P1,P2-Bis(5'-adenosyl) triphosphate

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

CHEBI:27529 [DBID]
C04307 [DBID]
  • Miscellaneous

    • Chemical Class:

      A diadenosyl triphosphate having the two 5'-adenosyl residues attached at the <element>P</element><smallsup>1</smallsup>- and <element>P</element><smallsup>2</smallsup>-positions. ChEBI CHEBI:27529
      A diadenosyl triphosphate having the two 5'-adenosyl residues attached at the P(1)- and P(2)-positions. ChEBI CHEBI:27529

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

Density: 2.5±0.1 g/cm3
Boiling Point: 1192.8±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 185.2±3.0 kJ/mol
Flash Point: 675.2±37.1 °C
Index of Refraction: 1.976
Molar Refractivity: 146.9±0.5 cm3
#H bond acceptors: 26
#H bond donors: 11
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 3
ACD/LogP: -3.84
ACD/LogD (pH 5.5): -10.03
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -10.73
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 417 Å2
Polarizability: 58.2±0.5 10-24cm3
Surface Tension: 175.9±7.0 dyne/cm
Molar Volume: 298.6±7.0 cm3

Click to predict properties on the Chemicalize site


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