ChemSpider 2D Image | (2S)-2-{[(2R)-2-(2-{[(2S)-1-Hydroxy-3-phenyl-2-propanyl]amino}-2-oxoethyl)-4-pentenoyl]amino}-3-(2-naphthylamino)-3-oxopropyl (2R)-2-benzyl-4-pentenoate | C41H45N3O6

(2S)-2-{[(2R)-2-(2-{[(2S)-1-Hydroxy-3-phenyl-2-propanyl]amino}-2-oxoethyl)-4-pentenoyl]amino}-3-(2-naphthylamino)-3-oxopropyl (2R)-2-benzyl-4-pentenoate

  • Molecular FormulaC41H45N3O6
  • Average mass675.813 Da
  • Monoisotopic mass675.330811 Da
  • ChemSpider ID5039351

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(2R)-2-Benzyl-4-penténoate de (2S)-2-{[(2R)-2-(2-{[(2S)-1-hydroxy-3-phényl-2-propanyl]amino}-2-oxoéthyl)-4-pentenoyl]amino}-3-(2-naphtylamino)-3-oxopropyle [French] [ACD/IUPAC Name]
(2S)-2-{[(2R)-2-(2-{[(2S)-1-Hydroxy-3-phenyl-2-propanyl]amino}-2-oxoethyl)-4-pentenoyl]amino}-3-(2-naphthylamino)-3-oxopropyl (2R)-2-benzyl-4-pentenoate [ACD/IUPAC Name]
(2S)-2-{[(2R)-2-(2-{[(2S)-1-Hydroxy-3-phenyl-2-propanyl]amino}-2-oxoethyl)-4-pentenoyl]amino}-3-(2-naphthylamino)-3-oxopropyl-(2R)-2-benzyl-4-pentenoat [German] [ACD/IUPAC Name]
Benzenepropanoic acid, α-2-propen-1-yl-, (2S)-2-[[(2R)-2-[2-[[(1S)-2-hydroxy-1-(phenylmethyl)ethyl]amino]-2-oxoethyl]-1-oxo-4-penten-1-yl]amino]-3-(2-naphthalenylamino)-3-oxopropyl ester, (αR) - [ACD/Index Name]
AML1_001743

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

Density: 1.2±0.1 g/cm3
Boiling Point: 943.1±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 143.8±3.0 kJ/mol
Flash Point: 524.2±34.3 °C
Index of Refraction: 1.613
Molar Refractivity: 195.9±0.3 cm3
#H bond acceptors: 9
#H bond donors: 4
#Freely Rotating Bonds: 20
#Rule of 5 Violations: 2
ACD/LogP: 7.14
ACD/LogD (pH 5.5): 6.26
ACD/BCF (pH 5.5): 33393.40
ACD/KOC (pH 5.5): 60203.21
ACD/LogD (pH 7.4): 6.26
ACD/BCF (pH 7.4): 33393.25
ACD/KOC (pH 7.4): 60202.95
Polar Surface Area: 134 Å2
Polarizability: 77.7±0.5 10-24cm3
Surface Tension: 51.7±3.0 dyne/cm
Molar Volume: 563.2±3.0 cm3

Click to predict properties on the Chemicalize site


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