ChemSpider 2D Image | 5'-Deoxy-5'-(4-{[(2,3-dihydroxy-5-nitrobenzoyl)amino]methyl}-1H-1,2,3-triazol-1-yl)adenosine | C20H20N10O8

5'-Deoxy-5'-(4-{[(2,3-dihydroxy-5-nitrobenzoyl)amino]methyl}-1H-1,2,3-triazol-1-yl)adenosine

  • Molecular FormulaC20H20N10O8
  • Average mass528.435 Da
  • Monoisotopic mass528.146545 Da
  • ChemSpider ID25060741
  • defined stereocentres - 4 of 4 defined stereocentres


More details:






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

5'-Deoxy-5'-(4-{[(2,3-dihydroxy-5-nitrobenzoyl)amino]methyl}-1H-1,2,3-triazol-1-yl)adenosine [ACD/IUPAC Name]
5'-deoxy-5'-[4-({[(2,3-dihydroxy-5-nitrophenyl)carbonyl]amino}methyl)-1H-1,2,3-triazol-1-yl]adenosine
5'-Desoxy-5'-(4-{[(2,3-dihydroxy-5-nitrobenzoyl)amino]methyl}-1H-1,2,3-triazol-1-yl)adenosin [German] [ACD/IUPAC Name]
5'-Désoxy-5'-(4-{[(2,3-dihydroxy-5-nitrobenzoyl)amino]méthyl}-1H-1,2,3-triazol-1-yl)adénosine [French] [ACD/IUPAC Name]
Adenosine, 5'-deoxy-5'-[4-[[(2,3-dihydroxy-5-nitrobenzoyl)amino]methyl]-1H-1,2,3-triazol-1-yl]- [ACD/Index Name]

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

Density: 2.1±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.924
Molar Refractivity: 121.4±0.5 cm3
#H bond acceptors: 18
#H bond donors: 7
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 3
ACD/LogP: 1.38
ACD/LogD (pH 5.5): 0.11
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 19.05
ACD/LogD (pH 7.4): -1.50
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 265 Å2
Polarizability: 48.1±0.5 10-24cm3
Surface Tension: 115.2±7.0 dyne/cm
Molar Volume: 256.3±7.0 cm3

Click to predict properties on the Chemicalize site






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