ChemSpider 2D Image | Benzyl [(5R,8S,10R,13S)-8,10-dibenzyl-9-hydroxy-5-isopropyl-14-methyl-3,6,12-trioxo-1-phenyl-2-oxa-4,7,11-triazapentadecan-13-yl]carbamate (non-preferred name) | C43H52N4O7

Benzyl [(5R,8S,10R,13S)-8,10-dibenzyl-9-hydroxy-5-isopropyl-14-methyl-3,6,12-trioxo-1-phenyl-2-oxa-4,7,11-triazapentadecan-13-yl]carbamate (non-preferred name)

  • Molecular FormulaC43H52N4O7
  • Average mass736.896 Da
  • Monoisotopic mass736.383606 Da
  • ChemSpider ID66424414

  • defined stereocentres - 4 of 5 defined stereocentres

More details:

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

[(5R,8S,10R,13S)-8,10-Dibenzyl-9-hydroxy-5-isopropyl-14-méthyl-3,6,12-trioxo-1-phényl-2-oxa-4,7,11-triazapentadécan-13-yl]carbamate de benzyle (non-preferred name) [French] [ACD/IUPAC Name]
Benzyl [(5R,8S,10R,13S)-8,10-dibenzyl-9-hydroxy-5-isopropyl-14-methyl-3,6,12-trioxo-1-phenyl-2-oxa-4,7,11-triazapentadecan-13-yl]carbamate (non-preferred name) [ACD/IUPAC Name]
Benzyl-[(5R,8S,10R,13S)-8,10-dibenzyl-9-hydroxy-5-isopropyl-14-methyl-3,6,12-trioxo-1-phenyl-2-oxa-4,7,11-triazapentadecan-13-yl]carbamat (non-preferred name) [German] [ACD/IUPAC Name]
D-erythro-Pentitol, 1,2,4,5-tetradeoxy-2-[[(2R)-3-methyl-1-oxo-2-[[(phenylmethoxy)carbonyl]amino]butyl]amino]-4-[[(2S)-3-methyl-1-oxo-2-[[(phenylmethoxy)carbonyl]amino]butyl]amino]-1,5-diphenyl- [ACD/Index Name]

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

A-74704 [DBID]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 956.7±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 145.9±3.0 kJ/mol
Flash Point: 532.4±34.3 °C
Index of Refraction: 1.581
Molar Refractivity: 207.3±0.3 cm3
#H bond acceptors: 11
#H bond donors: 5
#Freely Rotating Bonds: 20
#Rule of 5 Violations: 4
ACD/LogP: 7.52
ACD/LogD (pH 5.5): 6.37
ACD/BCF (pH 5.5): 40987.67
ACD/KOC (pH 5.5): 69669.30
ACD/LogD (pH 7.4): 6.37
ACD/BCF (pH 7.4): 40971.29
ACD/KOC (pH 7.4): 69641.53
Polar Surface Area: 155 Å2
Polarizability: 82.2±0.5 10-24cm3
Surface Tension: 49.2±3.0 dyne/cm
Molar Volume: 621.6±3.0 cm3

Click to predict properties on the Chemicalize site


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