ChemSpider 2D Image | 5'-O-(L-Histidylsulfamoyl)adenosine | C16H21N9O7S

5'-O-(L-Histidylsulfamoyl)adenosine

  • Molecular FormulaC16H21N9O7S
  • Average mass483.459 Da
  • Monoisotopic mass483.128479 Da
  • ChemSpider ID23148534

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

5'-O-(L-Histidylsulfamoyl)adenosin [German] [ACD/IUPAC Name]
5'-O-(L-Histidylsulfamoyl)adenosine [ACD/IUPAC Name]
5'-O-(L-Histidylsulfamoyl)adénosine [French] [ACD/IUPAC Name]
5'-O-[(L-histidylamino)sulfonyl]adenosine
Adenosine, 5'-O-[[[(2S)-2-amino-3-(1H-imidazol-4-yl)-1-oxopropyl]amino]sulfonyl]- [ACD/Index Name]
[(S)-2-Amino-3-(1H-imidazol-4-yl)-propionyl]-sulfamic acid (2R,3S,4R,5R)-5-(6-amino-purin-9-yl)-3,4-dihydroxy-tetrahydro-furan-2-ylmethyl ester
CHEMBL412891
HSS
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL412891/

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

Density: 2.1±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.884
Molar Refractivity: 107.3±0.5 cm3
#H bond acceptors: 16
#H bond donors: 8
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: -1.86
ACD/LogD (pH 5.5): -4.72
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.04
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 255 Å2
Polarizability: 42.5±0.5 10-24cm3
Surface Tension: 110.1±7.0 dyne/cm
Molar Volume: 233.5±7.0 cm3

Click to predict properties on the Chemicalize site


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