ChemSpider 2D Image | Methyl [(5S,8S,10S,11S,14S)-8-benzyl-10-hydroxy-11-{4-[6-(hydroxymethyl)-3-pyridinyl]benzyl}-15,15-dimethyl-5-(2-methyl-2-propanyl)-3,6-dioxo-2-oxa-4,7,12-triazahexadecan-14-yl]carbamate | C40H57N5O7

Methyl [(5S,8S,10S,11S,14S)-8-benzyl-10-hydroxy-11-{4-[6-(hydroxymethyl)-3-pyridinyl]benzyl}-15,15-dimethyl-5-(2-methyl-2-propanyl)-3,6-dioxo-2-oxa-4,7,12-triazahexadecan-14-yl]carbamate

  • Molecular FormulaC40H57N5O7
  • Average mass719.910 Da
  • Monoisotopic mass719.425781 Da
  • ChemSpider ID34535452

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

[(5S,8S,10S,11S,14S)-8-Benzyl-10-hydroxy-11-{4-[6-(hydroxyméthyl)-3-pyridinyl]benzyl}-15,15-diméthyl-5-(2-méthyl-2-propanyl)-3,6-dioxo-2-oxa-4,7,12-triazahexadécan-14-yl]carbamate de méthyle [French] [ACD/IUPAC Name]
Carbamic acid, N-[(1S,4S,5S,7S,10S)-1,10-bis(1,1-dimethylethyl)-5-hydroxy-4-[[4-[6-(hydroxymethyl)-3-pyridinyl]phenyl]methyl]-9,12-dioxo-7-(phenylmethyl)-13-oxa-3,8,11-triazatetradec-1-yl]-, methyl es ter [ACD/Index Name]
Methyl [(5S,8S,10S,11S,14S)-8-benzyl-10-hydroxy-11-{4-[6-(hydroxymethyl)-3-pyridinyl]benzyl}-15,15-dimethyl-5-(2-methyl-2-propanyl)-3,6-dioxo-2-oxa-4,7,12-triazahexadecan-14-yl]carbamate [ACD/IUPAC Name]
Methyl-[(5S,8S,10S,11S,14S)-8-benzyl-10-hydroxy-11-{4-[6-(hydroxymethyl)-3-pyridinyl]benzyl}-15,15-dimethyl-5-(2-methyl-2-propanyl)-3,6-dioxo-2-oxa-4,7,12-triazahexadecan-14-yl]carbamat [German] [ACD/IUPAC Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 911.7±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 138.9±3.0 kJ/mol
Flash Point: 505.2±34.3 °C
Index of Refraction: 1.558
Molar Refractivity: 201.3±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): 1.66
ACD/BCF (pH 5.5): 2.21
ACD/KOC (pH 5.5): 9.45
ACD/LogD (pH 7.4): 3.30
ACD/BCF (pH 7.4): 95.99
ACD/KOC (pH 7.4): 409.99
Polar Surface Area: 171 Å2
Polarizability: 79.8±0.5 10-24cm3
Surface Tension: 46.8±3.0 dyne/cm
Molar Volume: 624.2±3.0 cm3

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