ChemSpider 2D Image | 5'-O-{Hydroxy[phosphono(sulfo)methyl]phosphoryl}adenosine | C11H17N5O12P2S

5'-O-{Hydroxy[phosphono(sulfo)methyl]phosphoryl}adenosine

  • Molecular FormulaC11H17N5O12P2S
  • Average mass505.292 Da
  • Monoisotopic mass505.006958 Da
  • ChemSpider ID9629778
  • defined stereocentres - 4 of 5 defined stereocentres


More details:






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

5'-O-{Hydroxy[phosphono(sulfo)methyl]phosphoryl}adenosin [German] [ACD/IUPAC Name]
5'-O-{Hydroxy[phosphono(sulfo)methyl]phosphoryl}adenosine [ACD/IUPAC Name]
5'-O-{Hydroxy[phosphono(sulfo)méthyl]phosphoryl}adénosine [French] [ACD/IUPAC Name]
Adenosine, 5'-O-[hydroxy(phosphonosulfomethyl)phosphinyl]- [ACD/Index Name]

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

Density: 2.6±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.922
Molar Refractivity: 93.7±0.5 cm3
#H bond acceptors: 17
#H bond donors: 8
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 3
ACD/LogP: -4.54
ACD/LogD (pH 5.5): -10.64
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -11.15
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 306 Å2
Polarizability: 37.1±0.5 10-24cm3
Surface Tension: 179.1±7.0 dyne/cm
Molar Volume: 198.1±7.0 cm3

Click to predict properties on the Chemicalize site






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