ChemSpider 2D Image | Ap3A | C20H27N10O16P3

Ap3A

  • Molecular FormulaC20H27N10O16P3
  • Average mass756.407 Da
  • Monoisotopic mass756.081909 Da
  • ChemSpider ID144977

  • defined stereocentres - 8 of 8 defined stereocentres

More details:

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

5959-90-0 [RN]
Ap3A
P(1),P(3)-bis(5'-adenosyl) triphosphate
P(1),P(3)-bis(5'-adenosyl) triphosphate
{[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}({[({[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy](hydroxy)phosphoryl}oxy)phosphinic acid
{[(2S,3R,4S,5S)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}({[({[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy](hydroxy)phosphoryl}oxy)phosphinic acid
158700-26-6 [RN]
56432-02-1 [RN]
5'Ap3A
A(5')p3(5')A
More...

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

CHEBI:27775 [DBID]
158700-26-6,5959-90-0,56432-02-1 [DBID]
56432-02-1; 5959-90-0 [DBID]
603878 [DBID]
C06197 [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>3</smallsup>-positions. ChEBI CHEBI:27775
      A diadenosyl triphosphate having the two 5'-adenosyl residues attached at the P(1)- and P(3)-positions. ChEBI CHEBI:27775

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): -10.86
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -10.94
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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