ChemSpider 2D Image | (2R)-2-[(2-{[(1R)-2-Hydroxy-1-phenylethyl]carbamoyl}-4-pentenoyl)amino]-3-methoxy-3-oxopropyl (2R)-2-[2-oxo-2-(1-pyrrolidinyl)ethyl]-4-pentenoate | C29H39N3O8

(2R)-2-[(2-{[(1R)-2-Hydroxy-1-phenylethyl]carbamoyl}-4-pentenoyl)amino]-3-methoxy-3-oxopropyl (2R)-2-[2-oxo-2-(1-pyrrolidinyl)ethyl]-4-pentenoate

  • Molecular FormulaC29H39N3O8
  • Average mass557.635 Da
  • Monoisotopic mass557.273743 Da
  • ChemSpider ID5046225

  • defined stereocentres - 3 of 4 defined stereocentres

More details:

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

(2R)-2-[(2-{[(1R)-2-Hydroxy-1-phenylethyl]carbamoyl}-4-pentenoyl)amino]-3-methoxy-3-oxopropyl (2R)-2-[2-oxo-2-(1-pyrrolidinyl)ethyl]-4-pentenoate [ACD/IUPAC Name]
(2R)-2-[(2-{[(1R)-2-Hydroxy-1-phenylethyl]carbamoyl}-4-pentenoyl)amino]-3-methoxy-3-oxopropyl-(2R)-2-[2-oxo-2-(1-pyrrolidinyl)ethyl]-4-pentenoat [German] [ACD/IUPAC Name]
(2R)-2-[2-Oxo-2-(1-pyrrolidinyl)éthyl]-4-penténoate de (2R)-2-[(2-{[(1R)-2-hydroxy-1-phényléthyl]carbamoyl}-4-pentenoyl)amino]-3-méthoxy-3-oxopropyle [French] [ACD/IUPAC Name]
1-Pyrrolidinebutanoic acid, γ-oxo-α-2-propen-1-yl-, (2R)-2-[[2-[[[(1R)-2-hydroxy-1-phenylethyl]amino]carbonyl]-1-oxo-4-penten-1-yl]amino]-3-methoxy-3-oxopropyl ester, (αR)- [ACD/Index Name]
CDH2_000233

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

CBiol_001641 [DBID]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 768.7±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.8 mmHg at 25°C
Enthalpy of Vaporization: 117.4±3.0 kJ/mol
Flash Point: 418.7±32.9 °C
Index of Refraction: 1.547
Molar Refractivity: 146.1±0.3 cm3
#H bond acceptors: 11
#H bond donors: 3
#Freely Rotating Bonds: 18
#Rule of 5 Violations: 2
ACD/LogP: 3.27
ACD/LogD (pH 5.5): 2.61
ACD/BCF (pH 5.5): 56.89
ACD/KOC (pH 5.5): 627.40
ACD/LogD (pH 7.4): 2.53
ACD/BCF (pH 7.4): 46.72
ACD/KOC (pH 7.4): 515.22
Polar Surface Area: 151 Å2
Polarizability: 57.9±0.5 10-24cm3
Surface Tension: 51.2±3.0 dyne/cm
Molar Volume: 460.8±3.0 cm3

Click to predict properties on the Chemicalize site


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