ChemSpider 2D Image | compound 4b [PMID: 20690647] | C28H38N8O6

compound 4b [PMID: 20690647]

  • Molecular FormulaC28H38N8O6
  • Average mass582.651 Da
  • Monoisotopic mass582.291443 Da
  • ChemSpider ID26351454

  • defined stereocentres - 1 of 2 defined stereocentres

More details:

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

{(2S)-1-[(1-{[3-(6-Amino-2-méthoxy-9H-purin-9-yl)propyl]amino}-1,2-dioxo-3-pentanyl)amino]-4-méthyl-1-oxo-2-pentanyl}carbamate de benzyle [French] [ACD/IUPAC Name]
Benzyl {(2S)-1-[(1-{[3-(6-amino-2-methoxy-9H-purin-9-yl)propyl]amino}-1,2-dioxo-3-pentanyl)amino]-4-methyl-1-oxo-2-pentanyl}carbamate [ACD/IUPAC Name]
Benzyl-{(2S)-1-[(1-{[3-(6-amino-2-methoxy-9H-purin-9-yl)propyl]amino}-1,2-dioxo-3-pentanyl)amino]-4-methyl-1-oxo-2-pentanyl}carbamat [German] [ACD/IUPAC Name]
Carbamic acid, N-[(1S)-1-[[[3-[[3-(6-amino-2-methoxy-9H-purin-9-yl)propyl]amino]-1-ethyl-2,3-dioxopropyl]amino]carbonyl]-3-methylbutyl]-, phenylmethyl ester [ACD/Index Name]
compound 4b [PMID: 20690647]
benzyl N-[(2S)-1-[[1-[3-(6-amino-2-methoxypurin-9-yl)propylamino]-1,2-dioxopentan-3-yl]amino]-4-methyl-1-oxopentan-2-yl]carbamate
Cbz-Leu-D,L-Abu-CONH-(CH(2))(3)-2-methoxyadenin-9-yl
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL1240873/

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

Density: 1.4±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.631
Molar Refractivity: 153.6±0.5 cm3
#H bond acceptors: 14
#H bond donors: 5
#Freely Rotating Bonds: 16
#Rule of 5 Violations: 3
ACD/LogP: 1.16
ACD/LogD (pH 5.5): 1.90
ACD/BCF (pH 5.5): 16.30
ACD/KOC (pH 5.5): 255.36
ACD/LogD (pH 7.4): 1.91
ACD/BCF (pH 7.4): 16.55
ACD/KOC (pH 7.4): 259.24
Polar Surface Area: 192 Å2
Polarizability: 60.9±0.5 10-24cm3
Surface Tension: 52.6±7.0 dyne/cm
Molar Volume: 431.3±7.0 cm3

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