ChemSpider 2D Image | 2-Pyridinylmethyl [(6S,7R,11R,12S,15S)-6,12-dibenzyl-7,11-dihydroxy-2,2,16-trimethyl-4,14-dioxo-3-oxa-5,9,13-triazaheptadecan-15-yl]carbamate | C37H51N5O7

2-Pyridinylmethyl [(6S,7R,11R,12S,15S)-6,12-dibenzyl-7,11-dihydroxy-2,2,16-trimethyl-4,14-dioxo-3-oxa-5,9,13-triazaheptadecan-15-yl]carbamate

  • Molecular FormulaC37H51N5O7
  • Average mass677.830 Da
  • Monoisotopic mass677.378845 Da
  • ChemSpider ID422704

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

[(6S,7R,11R,12S,15S)-6,12-Dibenzyl-7,11-dihydroxy-2,2,16-triméthyl-4,14-dioxo-3-oxa-5,9,13-triazaheptadécan-15-yl]carbamate de 2-pyridinylméthyle [French] [ACD/IUPAC Name]
2-Pyridinylmethyl [(6S,7R,11R,12S,15S)-6,12-dibenzyl-7,11-dihydroxy-2,2,16-trimethyl-4,14-dioxo-3-oxa-5,9,13-triazaheptadecan-15-yl]carbamate [ACD/IUPAC Name]
2-Pyridinylmethyl-[(6S,7R,11R,12S,15S)-6,12-dibenzyl-7,11-dihydroxy-2,2,16-trimethyl-4,14-dioxo-3-oxa-5,9,13-triazaheptadecan-15-yl]carbamat [German] [ACD/IUPAC Name]
Carbamic acid, N-[(1S,4S,5R,9R,10S)-5,9-dihydroxy-14,14-dimethyl-1-(1-methylethyl)-2,12-dioxo-4,10-bis(phenylmethyl)-13-oxa-3,7,11-triazapentadec-1-yl]-, 2-pyridinylmethyl ester [ACD/Index Name]
[S-[1R*,2S*(2S*,3R*)]]-N-[3-[[3-[[(1,1-Dimethylothoxy)carbonyl]amino]-2-hydroxy-4-phenylbutyl]amino]-2-hydroxy-1-(phenylmethyl)-proyl]-N,N-[(2-pyridinylmethoxy)carbonyl]-L-valinamide

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

AIDS097263 [DBID]
AIDS-097263 [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: 884.5±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 134.7±3.0 kJ/mol
Flash Point: 488.7±34.3 °C
Index of Refraction: 1.569
Molar Refractivity: 187.0±0.3 cm3
#H bond acceptors: 12
#H bond donors: 6
#Freely Rotating Bonds: 20
#Rule of 5 Violations: 3
ACD/LogP: 4.86
ACD/LogD (pH 5.5): 1.42
ACD/BCF (pH 5.5): 1.36
ACD/KOC (pH 5.5): 6.08
ACD/LogD (pH 7.4): 2.67
ACD/BCF (pH 7.4): 23.76
ACD/KOC (pH 7.4): 106.41
Polar Surface Area: 171 Å2
Polarizability: 74.1±0.5 10-24cm3
Surface Tension: 50.0±3.0 dyne/cm
Molar Volume: 570.7±3.0 cm3

Click to predict properties on the Chemicalize site


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