ChemSpider 2D Image | P(1),P(6)-bis(5'-adenosyl)hexaphosphate | C20H30N10O25P6

P(1),P(6)-bis(5'-adenosyl)hexaphosphate

  • Molecular FormulaC20H30N10O25P6
  • Average mass996.347 Da
  • Monoisotopic mass995.980896 Da
  • ChemSpider ID110267
  • defined stereocentres - 8 of 8 defined stereocentres


More details:






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

P(1),P(6)-bis(5'-adenosyl)hexaphosphate
[(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]oxy(hydroxy)phosphoryl}oxy(hydroxy)phosphoryl)
{[(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}(hydroxy)phosphoryl)oxy](hydroxy)phosphoryl}oxy)phosphinic acid
56983-23-4 [RN]
Adenosine 5'-(heptahydrogen hexaphosphate) P->5'-ester with adenosine
Adenosine 5'-(heptahydrogen hexaphosphate), 5'-5'-ester with adenosine
Adenosine 5'-(heptahydrogen hexaphosphate)5'-5'-ester with adenosine
Adenosine 5'-hexaphosphate 5'-ester with adenosine
adenosine(5')hexaphospho(5')adenosine
Adenosine-(5')-hexaphospho-(5')-adenosine
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

CHEBI:63689 [DBID]
  • Miscellaneous
    • Chemical Class:

      A diadenosyl hexaphosphate in which the two adenosin-5'-yl groups are attached at the <element>P</element><smallsup>1</smallsup> and <element>P</element><smallsup>6</smallsup> positions. ChEBI CHEBI:63689

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 2.8±0.1 g/cm3
Boiling Point: 1359.4±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 215.2±3.0 kJ/mol
Flash Point: 775.9±37.1 °C
Index of Refraction: 1.965
Molar Refractivity: 176.8±0.5 cm3
#H bond acceptors: 35
#H bond donors: 14
#Freely Rotating Bonds: 18
#Rule of 5 Violations: 3
ACD/LogP: -7.65
ACD/LogD (pH 5.5): -17.86
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -17.94
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 586 Å2
Polarizability: 70.1±0.5 10-24cm3
Surface Tension: 220.8±7.0 dyne/cm
Molar Volume: 362.1±7.0 cm3

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