ChemSpider 2D Image | [[(1S,3S,4R,5R)-2-(6-amino-2-methylsulfanyl-purin-9-yl)-3,4-dihydroxy-5-bicyclo[3.1.0]hexanyl]methoxy-disodiooxyphosphoryloxy-phosphoryl]oxysodium | C13H16N5Na3O9P2S

[[(1S,3S,4R,5R)-2-(6-amino-2-methylsulfanyl-purin-9-yl)-3,4-dihydroxy-5-bicyclo[3.1.0]hexanyl]methoxy-disodiooxyphosphoryloxy-phosphoryl]oxysodium

  • Molecular FormulaC13H16N5Na3O9P2S
  • Average mass549.276 Da
  • Monoisotopic mass548.983704 Da
  • ChemSpider ID24605937

  • Charge - Charge

    defined stereocentres - 4 of 5 defined stereocentres

More details:

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

Diphosphoric acid, [(1R,2R,3S,5S)-4-[6-amino-2-(methylthio)-9H-purin-9-yl]-2,3-dihydroxybicyclo[3.1.0]hex-1-yl]methyl ester, sodium salt (1:3) [ACD/Index Name]
(N)-methanocarba-2-MeSADP
[(1R,2R,3S,5S)-4-[6-amino-2-(methylsulfanyl)-9H-purin-9-yl]-2,3-dihydroxybicyclo[3.1.0]hexan-1-yl]methyl sodium {[bis(sodiooxy)phosphoryl]oxy}phosphonate
[[(1R,2R,3S,4R,5S)-4-[6-Amino-2-(methylthio)-9H-purin-9-yl]-2,3-dihydroxybicyclo[3.1.0]hex-1-yl]methyl] diphosphoric acid mono ester trisodium salt
436847-09-5 [RN]
MRS 2365
MRS2365
  • Experimental Physico-chemical Properties

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: 14
#H bond donors: 4
#Freely Rotating Bonds: 15
#Rule of 5 Violations:
ACD/LogP:
ACD/LogD (pH 5.5):
ACD/BCF (pH 5.5):
ACD/KOC (pH 5.5):
ACD/LogD (pH 7.4):
ACD/BCF (pH 7.4):
ACD/KOC (pH 7.4):
Polar Surface Area: 235 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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