ChemSpider 2D Image | 1-[5-({[{[{[5-(6-Amino-9H-purin-9-yl)-3-hydroxy-4-(phosphonooxy)tetrahydro-2-furanyl]methoxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]oxy}methyl)-3,4-dihydroxytetrahydro-2-furanyl]-3-carbamoylpyridinium | C21H29N7O17P3

1-[5-({[{[{[5-(6-Amino-9H-purin-9-yl)-3-hydroxy-4-(phosphonooxy)tetrahydro-2-furanyl]methoxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]oxy}methyl)-3,4-dihydroxytetrahydro-2-furanyl]-3-carbamoylpyridinium

  • Molecular FormulaC21H29N7O17P3
  • Average mass744.412 Da
  • Monoisotopic mass744.082703 Da
  • ChemSpider ID904

  • Charge - Charge

More details:

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

1-[5-({[{[{[5-(6-Amino-9H-purin-9-yl)-3-hydroxy-4-(phosphonooxy)tetrahydro-2-furanyl]methoxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]oxy}methyl)-3,4-dihydroxytetrahydro-2-furanyl]-3-carbamoylpyridinium
1-[5-({[{[{[5-(6-Amino-9H-purin-9-yl)-3-hydroxy-4-(phosphonooxy)tétrahydro-2-furanyl]méthoxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]oxy}méthyl)-3,4-dihydroxytétrahydro-2-furanyl]-3-carbamoylpyridinium

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

NSC20273 [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: 24
#H bond donors: 11
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 3
ACD/LogP: -7.30
ACD/LogD (pH 5.5): -8.60
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -9.38
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 394 Å2
Polarizability:
Surface Tension:
Molar Volume:

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