ChemSpider 2D Image | 2-Methyl-2-propanyl [(6S,11S,14S)-11-(hydroxymethyl)-2,2-dimethyl-6-(4-nitrobenzyl)-15-(4-nitrophenyl)-4,7,13-trioxo-3-oxa-5,8,12-triazapentadecan-14-yl]carbamate | C32H44N6O11

2-Methyl-2-propanyl [(6S,11S,14S)-11-(hydroxymethyl)-2,2-dimethyl-6-(4-nitrobenzyl)-15-(4-nitrophenyl)-4,7,13-trioxo-3-oxa-5,8,12-triazapentadecan-14-yl]carbamate

  • Molecular FormulaC32H44N6O11
  • Average mass688.725 Da
  • Monoisotopic mass688.306824 Da
  • ChemSpider ID421886

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

[(6S,11S,14S)-11-(Hydroxyméthyl)-2,2-diméthyl-6-(4-nitrobenzyl)-15-(4-nitrophényl)-4,7,13-trioxo-3-oxa-5,8,12-triazapentadécan-14-yl]carbamate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
2-Methyl-2-propanyl [(6S,11S,14S)-11-(hydroxymethyl)-2,2-dimethyl-6-(4-nitrobenzyl)-15-(4-nitrophenyl)-4,7,13-trioxo-3-oxa-5,8,12-triazapentadecan-14-yl]carbamate [ACD/IUPAC Name]
2-Methyl-2-propanyl-[(6S,11S,14S)-11-(hydroxymethyl)-2,2-dimethyl-6-(4-nitrobenzyl)-15-(4-nitrophenyl)-4,7,13-trioxo-3-oxa-5,8,12-triazapentadecan-14-yl]carbamat [German] [ACD/IUPAC Name]
Carbamic acid, N-[(1S,4S,9S)-4-(hydroxymethyl)-13,13-dimethyl-1,9-bis[(4-nitrophenyl)methyl]-2,8,11-trioxo-12-oxa-3,7,10-triazatetradec-1-yl]-, 1,1-dimethylethyl ester [ACD/Index Name]
[1-{3-[2-tert-Butoxycarbonylamino-3-(4-nitro-phenyl)-propanoylamino]-1-hydroxymethyl-propylcarbamoyl}-2-(4-nitro-phenyl)-ethyl]-carbamic acid tert-butyl ester

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

AIDS095986 [DBID]
AIDS-095986 [DBID]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 941.1±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 143.5±3.0 kJ/mol
Flash Point: 522.9±34.3 °C
Index of Refraction: 1.567
Molar Refractivity: 176.1±0.3 cm3
#H bond acceptors: 17
#H bond donors: 5
#Freely Rotating Bonds: 19
#Rule of 5 Violations: 3
ACD/LogP: 3.54
ACD/LogD (pH 5.5): 3.42
ACD/BCF (pH 5.5): 233.44
ACD/KOC (pH 5.5): 1723.72
ACD/LogD (pH 7.4): 3.42
ACD/BCF (pH 7.4): 233.32
ACD/KOC (pH 7.4): 1722.83
Polar Surface Area: 247 Å2
Polarizability: 69.8±0.5 10-24cm3
Surface Tension: 52.9±3.0 dyne/cm
Molar Volume: 539.0±3.0 cm3

Click to predict properties on the Chemicalize site


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