ChemSpider 2D Image | (2R)-3-(Benzyloxy)-2-{[(2R)-2-(2-{[2-(2-hydroxyethoxy)ethyl]amino}-2-oxoethyl)-4-pentenoyl]amino}-3-oxopropyl (2R)-2-benzyl-5-hexenoate | C34H44N2O8

(2R)-3-(Benzyloxy)-2-{[(2R)-2-(2-{[2-(2-hydroxyethoxy)ethyl]amino}-2-oxoethyl)-4-pentenoyl]amino}-3-oxopropyl (2R)-2-benzyl-5-hexenoate

  • Molecular FormulaC34H44N2O8
  • Average mass608.722 Da
  • Monoisotopic mass608.309753 Da
  • ChemSpider ID5038337
  • defined stereocentres - 3 of 3 defined stereocentres


More details:






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

(2R)-2-Benzyl-5-hexénoate de (2R)-3-(benzyloxy)-2-{[(2R)-2-(2-{[2-(2-hydroxyéthoxy)éthyl]amino}-2-oxoéthyl)-4-pentenoyl]amino}-3-oxopropyle [French] [ACD/IUPAC Name]
(2R)-3-(Benzyloxy)-2-{[(2R)-2-(2-{[2-(2-hydroxyethoxy)ethyl]amino}-2-oxoethyl)-4-pentenoyl]amino}-3-oxopropyl (2R)-2-benzyl-5-hexenoate [ACD/IUPAC Name]
(2R)-3-(Benzyloxy)-2-{[(2R)-2-(2-{[2-(2-hydroxyethoxy)ethyl]amino}-2-oxoethyl)-4-pentenoyl]amino}-3-oxopropyl-(2R)-2-benzyl-5-hexenoat [German] [ACD/IUPAC Name]
Benzenepropanoic acid, α-3-buten-1-yl-, (2R)-2-[[(2R)-2-[2-[[2-(2-hydroxyethoxy)ethyl]amino]-2-oxoethyl]-1-oxo-4-penten-1-yl]amino]-3-oxo-3-(phenylmethoxy)propyl ester, (αR)- [ACD/Index Name]
AML1_000598

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

Density: 1.2±0.1 g/cm3
Boiling Point: 801.8±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.0 mmHg at 25°C
Enthalpy of Vaporization: 122.3±3.0 kJ/mol
Flash Point: 438.7±34.3 °C
Index of Refraction: 1.544
Molar Refractivity: 166.4±0.3 cm3
#H bond acceptors: 10
#H bond donors: 3
#Freely Rotating Bonds: 24
#Rule of 5 Violations: 2
ACD/LogP: 4.80
ACD/LogD (pH 5.5): 4.19
ACD/BCF (pH 5.5): 898.47
ACD/KOC (pH 5.5): 4526.03
ACD/LogD (pH 7.4): 4.19
ACD/BCF (pH 7.4): 898.47
ACD/KOC (pH 7.4): 4526.02
Polar Surface Area: 140 Å2
Polarizability: 65.9±0.5 10-24cm3
Surface Tension: 46.1±3.0 dyne/cm
Molar Volume: 527.1±3.0 cm3

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