ChemSpider 2D Image | N-(N-Carbamoyl-L-threonyl)adenosine | C15H21N7O7

N-(N-Carbamoyl-L-threonyl)adenosine

  • Molecular FormulaC15H21N7O7
  • Average mass411.370 Da
  • Monoisotopic mass411.150238 Da
  • ChemSpider ID74854310

  • defined stereocentres - 6 of 6 defined stereocentres

More details:

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

89019-62-5 [RN]
Adenosine, N-[(2S,3R)-2-[(aminocarbonyl)amino]-3-hydroxy-1-oxobutyl]- [ACD/Index Name]
N-(N-Carbamoyl-L-threonyl)adenosin [German] [ACD/IUPAC Name]
N-(N-Carbamoyl-L-threonyl)adenosine [ACD/IUPAC Name]
N-(N-Carbamoyl-L-thréonyl)adénosine [French] [ACD/IUPAC Name]
N-[(2S,3R)-2-[(Aminocarbonyl)amino]-3-hydroxy-1-oxobutyl]adenosine
(2S,3R)-2-(carbamoylamino)-N-{9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-9H-purin-6-yl}-3-hydroxybutanamide
(2S,3R)-2-(carbamoylamino)-N-{9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]purin-6-yl}-3-hydroxybutanamide
N6-Carbamoyl-L-threonyladenosine

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

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: 1.827
Molar Refractivity: 91.5±0.5 cm3
#H bond acceptors: 14
#H bond donors: 8
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: -1.93
ACD/LogD (pH 5.5): -2.00
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.94
ACD/LogD (pH 7.4): -2.08
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.61
Polar Surface Area: 218 Å2
Polarizability: 36.3±0.5 10-24cm3
Surface Tension: 96.7±7.0 dyne/cm
Molar Volume: 208.8±7.0 cm3

Click to predict properties on the Chemicalize site


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