ChemSpider 2D Image | 2-Methyl-2-propanyl [(4S,7R,9S,10S,14S,17S)-14-(2-amino-2-oxoethyl)-9-hydroxy-10-isobutyl-4,7,18-trimethyl-3,6,13,16-tetraoxo-1-phenyl-2,5,11,15-tetraazanonadecan-17-yl]carbamate | C35H58N6O8

2-Methyl-2-propanyl [(4S,7R,9S,10S,14S,17S)-14-(2-amino-2-oxoethyl)-9-hydroxy-10-isobutyl-4,7,18-trimethyl-3,6,13,16-tetraoxo-1-phenyl-2,5,11,15-tetraazanonadecan-17-yl]carbamate

  • Molecular FormulaC35H58N6O8
  • Average mass690.870 Da
  • Monoisotopic mass690.431641 Da
  • ChemSpider ID31108650

  • defined stereocentres - 6 of 6 defined stereocentres

More details:

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

[(4S,7R,9S,10S,14S,17S)-14-(2-Amino-2-oxoéthyl)-9-hydroxy-10-isobutyl-4,7,18-triméthyl-3,6,13,16-tétraoxo-1-phényl-2,5,11,15-tétraazanonadécan-17-yl]carbamate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
2-Methyl-2-propanyl [(4S,7R,9S,10S,14S,17S)-14-(2-amino-2-oxoethyl)-9-hydroxy-10-isobutyl-4,7,18-trimethyl-3,6,13,16-tetraoxo-1-phenyl-2,5,11,15-tetraazanonadecan-17-yl]carbamate [ACD/IUPAC Name]
2-Methyl-2-propanyl-[(4S,7R,9S,10S,14S,17S)-14-(2-amino-2-oxoethyl)-9-hydroxy-10-isobutyl-4,7,18-trimethyl-3,6,13,16-tetraoxo-1-phenyl-2,5,11,15-tetraazanonadecan-17-yl]carbamat [German] [ACD/IUPAC Name]
Carbamic acid, N-[(1S,4S,8S,9S,11R,14S)-4-(2-amino-2-oxoethyl)-9-hydroxy-11,14-dimethyl-1-(1-methylethyl)-8-(2-methylpropyl)-2,5,12,15-tetraoxo-17-phenyl-3,7,13,16-tetraazaheptadec-1-yl]-, 1,1-dimethy lethyl ester [ACD/Index Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 979.2±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 149.5±3.0 kJ/mol
Flash Point: 546.0±34.3 °C
Index of Refraction: 1.525
Molar Refractivity: 185.5±0.3 cm3
#H bond acceptors: 14
#H bond donors: 8
#Freely Rotating Bonds: 22
#Rule of 5 Violations: 3
ACD/LogP: 4.23
ACD/LogD (pH 5.5): 1.85
ACD/BCF (pH 5.5): 8.73
ACD/KOC (pH 5.5): 86.52
ACD/LogD (pH 7.4): 2.78
ACD/BCF (pH 7.4): 74.76
ACD/KOC (pH 7.4): 741.12
Polar Surface Area: 218 Å2
Polarizability: 73.5±0.5 10-24cm3
Surface Tension: 45.0±3.0 dyne/cm
Molar Volume: 605.3±3.0 cm3

Click to predict properties on the Chemicalize site


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