ChemSpider 2D Image | N-{[(2S)-1-(L-Alloisoleucyl)-2-pyrrolidinyl](hydroxy)methylene}-L-alloisoleucine | C17H31N3O4

N-{[(2S)-1-(L-Alloisoleucyl)-2-pyrrolidinyl](hydroxy)methylene}-L-alloisoleucine

  • Molecular FormulaC17H31N3O4
  • Average mass341.446 Da
  • Monoisotopic mass341.231445 Da
  • ChemSpider ID57642947

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

L-Alloisoleucine, N-[[(2S)-1-[(2S,3R)-2-amino-3-methyl-1-oxopentyl]-2-pyrrolidinyl]hydroxymethylene]- [ACD/Index Name]
N-{[(2S)-1-(L-Alloisoleucyl)-2-pyrrolidinyl](hydroxy)methylen}-L-alloisoleucin [German] [ACD/IUPAC Name]
N-{[(2S)-1-(L-Alloisoleucyl)-2-pyrrolidinyl](hydroxy)methylene}-L-alloisoleucine [ACD/IUPAC Name]
N-{[(2S)-1-(L-Alloisoleucyl)-2-pyrrolidinyl](hydroxy)méthylène}-L-alloisoleucine [French] [ACD/IUPAC 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: 538.5±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.2 mmHg at 25°C
Enthalpy of Vaporization: 93.8±6.0 kJ/mol
Flash Point: 279.5±32.9 °C
Index of Refraction: 1.566
Molar Refractivity: 89.9±0.5 cm3
#H bond acceptors: 7
#H bond donors: 4
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 2.18
ACD/LogD (pH 5.5): -1.22
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.24
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 116 Å2
Polarizability: 35.7±0.5 10-24cm3
Surface Tension: 43.9±7.0 dyne/cm
Molar Volume: 275.7±7.0 cm3

Click to predict properties on the Chemicalize site


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