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Search term: IZIYHQKZTVZLLO-NYBSAPDNSA-N (Found by InChIKey (full match))
ChemSpider 2D Image | 2-(4-Dodecyl-1H-1,2,3-triazol-1-yl)-5'-O-[(2-hydroxybenzoyl)sulfamoyl]adenosine | C31H43N9O8S

2-(4-Dodecyl-1H-1,2,3-triazol-1-yl)-5'-O-[(2-hydroxybenzoyl)sulfamoyl]adenosine

  • Molecular FormulaC31H43N9O8S
  • Average mass701.794 Da
  • Monoisotopic mass701.295532 Da
  • ChemSpider ID25047439

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

2-(4-Dodecyl-1H-1,2,3-triazol-1-yl)-5'-O-[(2-hydroxybenzoyl)sulfamoyl]adenosin [German] [ACD/IUPAC Name]
2-(4-Dodecyl-1H-1,2,3-triazol-1-yl)-5'-O-[(2-hydroxybenzoyl)sulfamoyl]adenosine [ACD/IUPAC Name]
2-(4-Dodécyl-1H-1,2,3-triazol-1-yl)-5'-O-[(2-hydroxybenzoyl)sulfamoyl]adénosine [French] [ACD/IUPAC Name]
2-(4-dodecyl-1H-1,2,3-triazol-1-yl)-5'-O-{[(2-hydroxyphenyl)carbonyl]sulfamoyl}adenosine
Adenosine, 2-(4-dodecyl-1H-1,2,3-triazol-1-yl)-5'-O-[[(2-hydroxybenzoyl)amino]sulfonyl]- [ACD/Index Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.702
Molar Refractivity: 176.6±0.5 cm3
#H bond acceptors: 17
#H bond donors: 6
#Freely Rotating Bonds: 18
#Rule of 5 Violations: 4
ACD/LogP: 5.91
ACD/LogD (pH 5.5): 3.44
ACD/BCF (pH 5.5): 79.80
ACD/KOC (pH 5.5): 216.51
ACD/LogD (pH 7.4): 3.36
ACD/BCF (pH 7.4): 67.57
ACD/KOC (pH 7.4): 183.35
Polar Surface Area: 251 Å2
Polarizability: 70.0±0.5 10-24cm3
Surface Tension: 67.4±7.0 dyne/cm
Molar Volume: 455.8±7.0 cm3

Click to predict properties on the Chemicalize site


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