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Search term: SPPVIIPJDYOUQF (Found by InChIKey (skeleton match))

ChemSpider 2D Image | 5'-O-[Hydroxy(sulfomethyl)phosphoryl]adenosine 2'-(dihydrogen phosphate) | C11H17N5O12P2S

5'-O-[Hydroxy(sulfomethyl)phosphoryl]adenosine 2'-(dihydrogen phosphate)

  • Molecular FormulaC11H17N5O12P2S
  • Average mass505.292 Da
  • Monoisotopic mass505.006958 Da
  • ChemSpider ID2300167
  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

5'-O-[Hydroxy(sulfomethyl)phosphoryl]adenosin2'-(dihydrogenphosphat) [German] [ACD/IUPAC Name]
5'-O-[Hydroxy(sulfomethyl)phosphoryl]adenosine 2'-(dihydrogen phosphate) [ACD/IUPAC Name]
5'-O-[Hydroxy(sulfométhyl)phosphoryl]adénosine-2'-(dihydrogène phosphate) [French] [ACD/IUPAC Name]
Adenosine, 5'-O-[hydroxy(sulfomethyl)phosphinyl]-, 2'-(dihydrogen phosphate) [ACD/Index Name]
136439-86-6 [RN]
2'-Adenylic acid, 5'-(hydrogen(sulfomethyl)phosphonate)
2'-Adenylic acid,5'-[hydrogen (sulfomethyl)phosphonate] (9CI)
Adenosine 2'-phosphate 5'-methylenephosphosulfate

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

Density: 2.4±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.871
Molar Refractivity: 94.2±0.5 cm3
#H bond acceptors: 17
#H bond donors: 7
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 3
ACD/LogP: -5.22
ACD/LogD (pH 5.5): -11.00
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -11.84
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 295 Å2
Polarizability: 37.4±0.5 10-24cm3
Surface Tension: 160.7±7.0 dyne/cm
Molar Volume: 207.3±7.0 cm3

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