ChemSpider 2D Image | '5'-O-(N-(L-ALANYL)-SULFAMOYL)ADENOSINE | C13H19N7O7S

'5'-O-(N-(L-ALANYL)-SULFAMOYL)ADENOSINE

  • Molecular FormulaC13H19N7O7S
  • Average mass417.398 Da
  • Monoisotopic mass417.106659 Da
  • ChemSpider ID26329986

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

[(2S)-2-Aminopropanoyl]sulfamate de [(2S,3R,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytétrahydro-2-furanyl]méthyle [French] [ACD/IUPAC Name]
[(2S,3R,4R,5R)-5-(6-Amino-9H-purin-9-yl)-3,4-dihydroxytetrahydro-2-furanyl]methyl [(2S)-2-aminopropanoyl]sulfamate [ACD/IUPAC Name]
[(2S,3R,4R,5R)-5-(6-Amino-9H-purin-9-yl)-3,4-dihydroxytetrahydro-2-furanyl]methyl-[(2S)-2-aminopropanoyl]sulfamat [German] [ACD/IUPAC Name]
'5'-O-(N-(L-ALANYL)-SULFAMOYL)ADENOSINE
9H-Purin-6-amine, 9-[5-O-[[[(2S)-2-amino-1-oxopropyl]amino]sulfonyl]-α-L-arabinofuranosyl]- [ACD/Index Name]
(2S)-2-amino-1-({[(2S,3R,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxysulfonyl}amino)propan-1-one
(2S)-2-amino-1-[({[(2S,3R,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}sulfonyl)amino]propan-1-one

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

Density: 2.0±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.833
Molar Refractivity: 89.7±0.5 cm3
#H bond acceptors: 14
#H bond donors: 7
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: -1.35
ACD/LogD (pH 5.5): -4.09
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.91
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 226 Å2
Polarizability: 35.6±0.5 10-24cm3
Surface Tension: 102.6±7.0 dyne/cm
Molar Volume: 203.7±7.0 cm3

Click to predict properties on the Chemicalize site


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