ChemSpider 2D Image | {(3S,6R)-6-[2-(3-{[(2S)-2-Amino-3-(1-naphthyl)propanoyl]amino}-5-fluoro-4-pyridinyl)ethyl]-3-morpholinyl}methyl (4-fluorobenzyl)carbamate (non-preferred name) | C33H35F2N5O4

{(3S,6R)-6-[2-(3-{[(2S)-2-Amino-3-(1-naphthyl)propanoyl]amino}-5-fluoro-4-pyridinyl)ethyl]-3-morpholinyl}methyl (4-fluorobenzyl)carbamate (non-preferred name)

  • Molecular FormulaC33H35F2N5O4
  • Average mass603.659 Da
  • Monoisotopic mass603.265686 Da
  • ChemSpider ID34533277

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(4-Fluorobenzyl)carbamate de {(3S,6R)-6-[2-(3-{[(2S)-2-amino-3-(1-naphtyl)propanoyl]amino}-5-fluoro-4-pyridinyl)éthyl]-3-morpholinyl}méthyle (non-preferred name) [French] [ACD/IUPAC Name]
{(3S,6R)-6-[2-(3-{[(2S)-2-Amino-3-(1-naphthyl)propanoyl]amino}-5-fluor-4-pyridinyl)ethyl]-3-morpholinyl}methyl-(4-fluorbenzyl)carbamat (non-preferred name) [German] [ACD/IUPAC Name]
{(3S,6R)-6-[2-(3-{[(2S)-2-Amino-3-(1-naphthyl)propanoyl]amino}-5-fluoro-4-pyridinyl)ethyl]-3-morpholinyl}methyl (4-fluorobenzyl)carbamate (non-preferred name) [ACD/IUPAC Name]
Carbamic acid, N-[(4-fluorophenyl)methyl]-, [(3S,6R)-6-[2-[3-[[(2S)-2-amino-3-(1-naphthalenyl)-1-oxopropyl]amino]-5-fluoro-4-pyridinyl]ethyl]-3-morpholinyl]methyl ester [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 816.2±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.9 mmHg at 25°C
Enthalpy of Vaporization: 118.6±3.0 kJ/mol
Flash Point: 447.4±34.3 °C
Index of Refraction: 1.616
Molar Refractivity: 163.8±0.3 cm3
#H bond acceptors: 9
#H bond donors: 5
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 2
ACD/LogP: 3.59
ACD/LogD (pH 5.5): 1.23
ACD/BCF (pH 5.5): 1.20
ACD/KOC (pH 5.5): 7.18
ACD/LogD (pH 7.4): 3.45
ACD/BCF (pH 7.4): 200.07
ACD/KOC (pH 7.4): 1195.67
Polar Surface Area: 128 Å2
Polarizability: 65.0±0.5 10-24cm3
Surface Tension: 55.0±3.0 dyne/cm
Molar Volume: 469.0±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement