ChemSpider 2D Image | Ethyl (2E)-4-[2-({(2S)-1-[(2S)-2-acetamido-4-pentynoyl]-2-pyrrolidinyl}carbonyl)-1-(2-amino-2-oxoethyl)hydrazino]-4-oxo-2-butenoate | C20H27N5O7

Ethyl (2E)-4-[2-({(2S)-1-[(2S)-2-acetamido-4-pentynoyl]-2-pyrrolidinyl}carbonyl)-1-(2-amino-2-oxoethyl)hydrazino]-4-oxo-2-butenoate

  • Molecular FormulaC20H27N5O7
  • Average mass449.458 Da
  • Monoisotopic mass449.191040 Da
  • ChemSpider ID28478749

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(2E)-4-[2-({(2S)-1-[(2S)-2-Acétamido-4-pentynoyl]-2-pyrrolidinyl}carbonyl)-1-(2-amino-2-oxoéthyl)hydrazino]-4-oxo-2-buténoate d'éthyle [French] [ACD/IUPAC Name]
Ethyl (2E)-4-[2-({(2S)-1-[(2S)-2-acetamido-4-pentynoyl]-2-pyrrolidinyl}carbonyl)-1-(2-amino-2-oxoethyl)hydrazino]-4-oxo-2-butenoate [ACD/IUPAC Name]
Ethyl-(2E)-4-[2-({(2S)-1-[(2S)-2-acetamido-4-pentynoyl]-2-pyrrolidinyl}carbonyl)-1-(2-amino-2-oxoethyl)hydrazino]-4-oxo-2-butenoat [German] [ACD/IUPAC Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.558
Molar Refractivity: 110.2±0.3 cm3
#H bond acceptors: 12
#H bond donors: 4
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 1
ACD/LogP: -2.09
ACD/LogD (pH 5.5): -1.82
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.45
ACD/LogD (pH 7.4): -1.82
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 2.44
Polar Surface Area: 168 Å2
Polarizability: 43.7±0.5 10-24cm3
Surface Tension: 61.1±3.0 dyne/cm
Molar Volume: 341.5±3.0 cm3

Click to predict properties on the Chemicalize site


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