ChemSpider 2D Image | (5S)-5'-O-(5-Amino-5-deoxy-beta-D-ribofuranosyl)-5'-C-{(2S)-5-[(4-butylphenyl)carbamoyl]-1,4-dimethyl-3-oxo-2,3,4,7-tetrahydro-1H-1,4-diazepin-2-yl}uridine | C32H44N6O11

(5S)-5'-O-(5-Amino-5-deoxy-β-D-ribofuranosyl)-5'-C-{(2S)-5-[(4-butylphenyl)carbamoyl]-1,4-dimethyl-3-oxo-2,3,4,7-tetrahydro-1H-1,4-diazepin-2-yl}uridine

  • Molecular FormulaC32H44N6O11
  • Average mass688.725 Da
  • Monoisotopic mass688.306824 Da
  • ChemSpider ID34524069

  • defined stereocentres - 10 of 10 defined stereocentres

More details:

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

(5S)-5'-O-(5-Amino-5-deoxy-β-D-ribofuranosyl)-5'-C-{(2S)-5-[(4-butylphenyl)carbamoyl]-1,4-dimethyl-3-oxo-2,3,4,7-tetrahydro-1H-1,4-diazepin-2-yl}uridine [ACD/IUPAC Name]
(5S)-5'-O-(5-Amino-5-desoxy-β-D-ribofuranosyl)-5'-C-{(2S)-5-[(4-butylphenyl)carbamoyl]-1,4-dimethyl-3-oxo-2,3,4,7-tetrahydro-1H-1,4-diazepin-2-yl}uridin [German] [ACD/IUPAC Name]
(5S)-5'-O-(5-Amino-5-désoxy-β-D-ribofuranosyl)-5'-C-{(2S)-5-[(4-butylphényl)carbamoyl]-1,4-diméthyl-3-oxo-2,3,4,7-tétrahydro-1H-1,4-diazépin-2-yl}uridine [French] [ACD/IUPAC Name]
Uridine, 5'-O-(5-amino-5-deoxy-β-D-ribofuranosyl)-5'-C-[(2S)-5-[[(4-butylphenyl)amino]carbonyl]-2,3,4,7-tetrahydro-1,4-dimethyl-3-oxo-1H-1,4-diazepin-2-yl]-, (5S)- [ACD/Index Name]
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL4469883/

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: 1.673
Molar Refractivity: 172.7±0.4 cm3
#H bond acceptors: 17
#H bond donors: 8
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 3
ACD/LogP: 2.28
ACD/LogD (pH 5.5): -3.27
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.24
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 237 Å2
Polarizability: 68.5±0.5 10-24cm3
Surface Tension: 83.1±5.0 dyne/cm
Molar Volume: 461.0±5.0 cm3

Click to predict properties on the Chemicalize site


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