ChemSpider 2D Image | Ap5A | C20H29N10O22P5

Ap5A

  • Molecular FormulaC20H29N10O22P5
  • Average mass916.367 Da
  • Monoisotopic mass916.014587 Da
  • ChemSpider ID389195

  • defined stereocentres - 8 of 8 defined stereocentres

More details:

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

41708-91-2 [RN]
Ap5A
P(1),P(5)-bis(5'-adenosyl) pentaphosphate
{[(2R,3S,4R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}[({[({[({[(3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy](hydroxy)phosphoryl}oxy)(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl)oxy]phosphinic acid
14220-10-1 [RN]
50304-44-4 [RN]
adenosine(5')pentaphospho(5')adenosine
AHI
Bis(5'-adenosyl) pentaphosphate
bis(adenosine)-5'-pentaphosphate
More...

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

CHEBI:28898 [DBID]
41708-91-2; 50304-44-4 [DBID]
604343 [DBID]
C04058 [DBID]
  • Miscellaneous

    • Chemical Class:

      A diadenosyl pentaphosphate having the two 5'-adenosyl residues attached at the <element>P</element><smallsup>1</smallsup>- and <element>P</element><smallsup>5</smallsup>-positions. ChEBI CHEBI:28898
      A diadenosyl pentaphosphate having the two 5'-adenosyl residues attached at the P(1)- and P(5)-positions. ChEBI CHEBI:28898

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

Density: 2.7±0.1 g/cm3
Boiling Point: 1306.0±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 205.4±3.0 kJ/mol
Flash Point: 743.6±37.1 °C
Index of Refraction: 1.968
Molar Refractivity: 166.8±0.5 cm3
#H bond acceptors: 32
#H bond donors: 13
#Freely Rotating Bonds: 16
#Rule of 5 Violations: 3
ACD/LogP: -6.38
ACD/LogD (pH 5.5): -15.52
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -15.60
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 530 Å2
Polarizability: 66.1±0.5 10-24cm3
Surface Tension: 206.9±7.0 dyne/cm
Molar Volume: 340.9±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement