ChemSpider 2D Image | 3'-O-(Hydroxyphosphinato)-5'-O-[(sulfonatooxy)phosphinato]adenosine | C10H12N5O13P2S

3'-O-(Hydroxyphosphinato)-5'-O-[(sulfonatooxy)phosphinato]adenosine

  • Molecular FormulaC10H12N5O13P2S
  • Average mass504.242 Da
  • Monoisotopic mass503.964386 Da
  • ChemSpider ID21169113

  • Charge - Charge

    defined stereocentres - 4 of 4 defined stereocentres

More details:

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

3'-O-(Hydroxyphosphinato)-5'-O-[(sulfonatooxy)phosphinato]adenosin [German] [ACD/IUPAC Name]
3'-O-(Hydroxyphosphinato)-5'-O-[(sulfonatooxy)phosphinato]adenosine [ACD/IUPAC Name]
3'-O-(Hydroxyphosphinato)-5'-O-[(sulfonatooxy)phosphinato]adénosine [French] [ACD/IUPAC Name]
Adenosine, 5'-O-[hydroxy(sulfooxy)phosphinyl]-, 3'-(dihydrogen phosphate), ion(3-) [ACD/Index Name]
3 -phosphoadenosine 5 -phosphosulfate

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

nchembio.66-comp4 [DBID]

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

Density:
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 18
#H bond donors: 7
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 3
ACD/LogP: -3.19
ACD/LogD (pH 5.5): -9.31
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -10.15
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 312 Å2
Polarizability:
Surface Tension:
Molar Volume:

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