ChemSpider 2D Image | 2-[(2-{2-[2-(Hydroxymethyl)-1-pyrrolidinyl]-2-oxoethyl}-4-pentenoyl)amino]-2-phenylethyl 2-{[(benzyloxy)carbonyl]amino}-4-pentenoate | C33H41N3O7

2-[(2-{2-[2-(Hydroxymethyl)-1-pyrrolidinyl]-2-oxoethyl}-4-pentenoyl)amino]-2-phenylethyl 2-{[(benzyloxy)carbonyl]amino}-4-pentenoate

  • Molecular FormulaC33H41N3O7
  • Average mass591.695 Da
  • Monoisotopic mass591.294434 Da
  • ChemSpider ID3383763

More details:

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

2-[(2-{2-[2-(Hydroxymethyl)-1-pyrrolidinyl]-2-oxoethyl}-4-pentenoyl)amino]-2-phenylethyl 2-{[(benzyloxy)carbonyl]amino}-4-pentenoate [ACD/IUPAC Name]
2-[(2-{2-[2-(Hydroxymethyl)-1-pyrrolidinyl]-2-oxoethyl}-4-pentenoyl)amino]-2-phenylethyl-2-{[(benzyloxy)carbonyl]amino}-4-pentenoat [German] [ACD/IUPAC Name]
2-{[(Benzyloxy)carbonyl]amino}-4-penténoate de 2-[(2-{2-[2-(hydroxyméthyl)-1-pyrrolidinyl]-2-oxoéthyl}-4-pentenoyl)amino]-2-phényléthyle [French] [ACD/IUPAC Name]
4-Pentenoic acid, 2-[[(phenylmethoxy)carbonyl]amino]-, 2-[[2-[2-[2-(hydroxymethyl)-1-pyrrolidinyl]-2-oxoethyl]-1-oxo-4-penten-1-yl]amino]-2-phenylethyl ester [ACD/Index 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: 809.7±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.0 mmHg at 25°C
Enthalpy of Vaporization: 123.4±3.0 kJ/mol
Flash Point: 443.5±34.3 °C
Index of Refraction: 1.565
Molar Refractivity: 161.4±0.3 cm3
#H bond acceptors: 10
#H bond donors: 3
#Freely Rotating Bonds: 18
#Rule of 5 Violations: 2
ACD/LogP: 4.39
ACD/LogD (pH 5.5): 3.82
ACD/BCF (pH 5.5): 468.35
ACD/KOC (pH 5.5): 2839.22
ACD/LogD (pH 7.4): 3.82
ACD/BCF (pH 7.4): 468.17
ACD/KOC (pH 7.4): 2838.09
Polar Surface Area: 134 Å2
Polarizability: 64.0±0.5 10-24cm3
Surface Tension: 50.5±3.0 dyne/cm
Molar Volume: 495.5±3.0 cm3

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