ChemSpider 2D Image | Ap4A | C20H28N10O19P4

Ap4A

  • Molecular FormulaC20H28N10O19P4
  • Average mass836.387 Da
  • Monoisotopic mass836.048279 Da
  • ChemSpider ID20402

  • defined stereocentres - 8 of 8 defined stereocentres

More details:

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

{Oxybis[(hydroxyphosphoryl)oxy]}bis[hydrogéno(phosphonate)] de bis{[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytétrahydro-2-furanyl]méthyle} [French] [ACD/IUPAC Name]
5542-28-9 [RN]
Ap4A
Bis{[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydro-2-furanyl]methyl} {oxybis[(hydroxyphosphoryl)oxy]}bis[hydrogen (phosphonate)] [ACD/IUPAC Name]
Bis{[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydro-2-furanyl]methyl}-{oxybis[(hydroxyphosphoryl)oxy]}bis[hydrogen(phosphonat)] [German] [ACD/IUPAC Name]
P(1),P(4)-bis(5'-adenosyl) tetraphosphate
(ppA)2
[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy[({[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy(hydroxy)phosphoryl}oxy(hydroxy)phosphoryl)oxy(hydroxy)phosphoryl]oxyphosphinic acid
{[(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)(hydroxy)phosphoryl]oxy})phosphinic acid
102783-36-8 [RN]
More...

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

CHEBI:17422 [DBID]
117137-55-0,5542-28-9 [DBID]
C01260 [DBID]
  • Miscellaneous

    • Chemical Class:

      A diadenosyl tetraphosphate compound having the two 5'-adenosyl residues attached at the <element>P</element><smallsup>1</smallsup>- and <element>P</element><smallsup>4</smallsup>-positions. ChEBI CHEBI:17422
      A diadenosyl tetraphosphate compound having the two 5'-adenosyl residues attached at the P(1)- and P(4)-positions. ChEBI CHEBI:17422

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

Density: 2.6±0.1 g/cm3
Boiling Point: 1250.6±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 195.4±3.0 kJ/mol
Flash Point: 710.1±37.1 °C
Index of Refraction: 1.972
Molar Refractivity: 156.9±0.5 cm3
#H bond acceptors: 29
#H bond donors: 12
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 3
ACD/LogP: -5.11
ACD/LogD (pH 5.5): -13.22
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -13.29
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 473 Å2
Polarizability: 62.2±0.5 10-24cm3
Surface Tension: 191.9±7.0 dyne/cm
Molar Volume: 319.8±7.0 cm3

Click to predict properties on the Chemicalize site


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