Found 261 results

Search term: MF = 'C_{28}H_{39}N_{3}O_{7}'
ChemSpider 2D Image | (2S)-2-{[(2R)-2-{2-[(2S)-2-(Hydroxymethyl)-1-pyrrolidinyl]-2-oxoethyl}-4-pentenoyl]amino}propyl (2R)-2-{[(benzyloxy)carbonyl]amino}-4-pentenoate | C28H39N3O7

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

  • Molecular FormulaC28H39N3O7
  • Average mass529.625 Da
  • Monoisotopic mass529.278809 Da
  • ChemSpider ID5038465

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(2R)-2-{[(Benzyloxy)carbonyl]amino}-4-penténoate de (2S)-2-{[(2R)-2-{2-[(2S)-2-(hydroxyméthyl)-1-pyrrolidinyl]-2-oxoéthyl}-4-pentenoyl]amino}propyle [French] [ACD/IUPAC Name]
(2S)-2-{[(2R)-2-{2-[(2S)-2-(Hydroxymethyl)-1-pyrrolidinyl]-2-oxoethyl}-4-pentenoyl]amino}propyl (2R)-2-{[(benzyloxy)carbonyl]amino}-4-pentenoate [ACD/IUPAC Name]
(2S)-2-{[(2R)-2-{2-[(2S)-2-(Hydroxymethyl)-1-pyrrolidinyl]-2-oxoethyl}-4-pentenoyl]amino}propyl-(2R)-2-{[(benzyloxy)carbonyl]amino}-4-pentenoat [German] [ACD/IUPAC Name]
4-Pentenoic acid, 2-[[(phenylmethoxy)carbonyl]amino]-, (2S)-2-[[(2R)-2-[2-[(2S)-2-(hydroxymethyl)-1-pyrrolidinyl]-2-oxoethyl]-1-oxo-4-penten-1-yl]amino]propyl ester, (2R)- [ACD/Index Name]
AML1_000734

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

Density: 1.2±0.1 g/cm3
Boiling Point: 755.1±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 115.5±3.0 kJ/mol
Flash Point: 410.5±32.9 °C
Index of Refraction: 1.540
Molar Refractivity: 141.5±0.3 cm3
#H bond acceptors: 10
#H bond donors: 3
#Freely Rotating Bonds: 17
#Rule of 5 Violations: 2
ACD/LogP: 2.93
ACD/LogD (pH 5.5): 2.80
ACD/BCF (pH 5.5): 78.67
ACD/KOC (pH 5.5): 791.84
ACD/LogD (pH 7.4): 2.80
ACD/BCF (pH 7.4): 78.64
ACD/KOC (pH 7.4): 791.54
Polar Surface Area: 134 Å2
Polarizability: 56.1±0.5 10-24cm3
Surface Tension: 48.0±3.0 dyne/cm
Molar Volume: 450.9±3.0 cm3

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