ChemSpider 2D Image | 2-Methyl-2-propanyl {(3S,11S,14aR,15aS,15bS)-3-[amino(oxo)acetyl]-15,15-dimethyl-1,12-dioxohexadecahydro-2H-cyclopropa[3,4]pyrrolo[1,2-a][1,4]diazacyclotetradecin-11-yl}carbamate | C25H40N4O6

2-Methyl-2-propanyl {(3S,11S,14aR,15aS,15bS)-3-[amino(oxo)acetyl]-15,15-dimethyl-1,12-dioxohexadecahydro-2H-cyclopropa[3,4]pyrrolo[1,2-a][1,4]diazacyclotetradecin-11-yl}carbamate

  • Molecular FormulaC25H40N4O6
  • Average mass492.608 Da
  • Monoisotopic mass492.294800 Da
  • ChemSpider ID24706438

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

[(3S,11S,14aR,15aS,15bS)-3-(2-Amino-2-oxoacétyl)-15,15-diméthyl-1,12-dioxohexadécahydro-2H-cyclopropa[3,4]pyrrolo[1,2-a][1,4]diazacyclotétradécin-11-yl]carbamate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
2-Methyl-2-propanyl {(3S,11S,14aR,15aS,15bS)-3-[amino(oxo)acetyl]-15,15-dimethyl-1,12-dioxohexadecahydro-2H-cyclopropa[3,4]pyrrolo[1,2-a][1,4]diazacyclotetradecin-11-yl}carbamate [ACD/IUPAC Name]
2-Methyl-2-propanyl-{(3S,11S,14aR,15aS,15bS)-3-[amino(oxo)acetyl]-15,15-dimethyl-1,12-dioxohexadecahydro-2H-cyclopropa[3,4]pyrrolo[1,2-a][1,4]diazacyclotetradecin-11-yl}carbamat [German] [ACD/IUPAC Name]
Carbamic acid, N-[(3S,11S,14aR,15aS,15bS)-3-(2-amino-1,2-dioxoethyl)hexadecahydro-15,15-dimethyl-1,12-dioxo-2H-cyclopropa[3,4]pyrrolo[1,2-a][1,4]diazacyclotetradecin-11-yl]-, 1,1-dimethylethyl ester [ACD/Index Name]
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL495525/

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

Density: 1.2±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.555
Molar Refractivity: 128.7±0.4 cm3
#H bond acceptors: 10
#H bond donors: 4
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 0.69
ACD/LogD (pH 5.5): 1.53
ACD/BCF (pH 5.5): 8.51
ACD/KOC (pH 5.5): 161.09
ACD/LogD (pH 7.4): 1.53
ACD/BCF (pH 7.4): 8.50
ACD/KOC (pH 7.4): 161.08
Polar Surface Area: 148 Å2
Polarizability: 51.0±0.5 10-24cm3
Surface Tension: 53.4±5.0 dyne/cm
Molar Volume: 401.1±5.0 cm3

Click to predict properties on the Chemicalize site


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