ChemSpider 2D Image | 2'-phospho-5'-adenylyl sulfate | C10H15N5O13P2S

2'-phospho-5'-adenylyl sulfate

  • Molecular FormulaC10H15N5O13P2S
  • Average mass507.264 Da
  • Monoisotopic mass506.986237 Da
  • ChemSpider ID389059
  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

2'-phospho-5'-adenylyl sulfate
5'-O-[Hydroxy(sulfooxy)phosphoryl]adenosin2'-(dihydrogenphosphat) [German] [ACD/IUPAC Name]
5'-O-[Hydroxy(sulfooxy)phosphoryl]adenosine 2'-(dihydrogen phosphate) [ACD/IUPAC Name]
5'-O-[Hydroxy(sulfooxy)phosphoryl]adénosine-2'-(dihydrogène phosphate) [French] [ACD/IUPAC Name]
Adenosine, 5'-O-[hydroxy(sulfooxy)phosphinyl]-, 2'-(dihydrogen phosphate) [ACD/Index Name]
2'-O-phosphono-5'-adenylyl sulfate
2'-O-phosphono-5'-adenylyl sulfate; 5'-O-[hydroxy(sulfooxy)phosphoryl]adenosine 2'-(dihydrogen phosphate)
2'-phosphoadenylyl sulfate
62230-89-1 [RN]

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

C03568 [DBID]
  • Miscellaneous
    • Chemical Class:

      An adenosine bisphosphate having monophosphate groups at the 2'- and 5'-positions and a sulfo group attached to the phosphate at position 5'. ChEBI CHEBI:848

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

Density: 2.6±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.886
Molar Refractivity: 91.0±0.5 cm3
#H bond acceptors: 18
#H bond donors: 7
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 3
ACD/LogP: -3.54
ACD/LogD (pH 5.5): -9.59
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -10.43
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 304 Å2
Polarizability: 36.1±0.5 10-24cm3
Surface Tension: 174.6±7.0 dyne/cm
Molar Volume: 197.7±7.0 cm3

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