ChemSpider 2D Image | (Z)-N-{(2S)-2-Amino-1-hydroxy-3-[(Z)-(hydroxy{(2R,3R)-3-[hydroxy(imino)methyl]-2-oxiranyl}methylene)amino]propylidene}-L-valine | C12H20N4O6

(Z)-N-{(2S)-2-Amino-1-hydroxy-3-[(Z)-(hydroxy{(2R,3R)-3-[hydroxy(imino)methyl]-2-oxiranyl}methylene)amino]propylidene}-L-valine

  • Molecular FormulaC12H20N4O6
  • Average mass316.310 Da
  • Monoisotopic mass316.138275 Da
  • ChemSpider ID58837246
  • defined stereocentres - 4 of 4 defined stereocentres


More details:






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

(Z)-N-{(2S)-2-Amino-1-hydroxy-3-[(Z)-(hydroxy{(2R,3R)-3-[hydroxy(imino)methyl]-2-oxiranyl}methylen)amino]propyliden}-L-valin [German] [ACD/IUPAC Name]
(Z)-N-{(2S)-2-Amino-1-hydroxy-3-[(Z)-(hydroxy{(2R,3R)-3-[hydroxy(imino)methyl]-2-oxiranyl}methylene)amino]propylidene}-L-valine [ACD/IUPAC Name]
(Z)-N-{(2S)-2-Amino-1-hydroxy-3-[(Z)-(hydroxy{(2R,3R)-3-[hydroxy(imino)méthyl]-2-oxiranyl}méthylène)amino]propylidène}-L-valine [French] [ACD/IUPAC Name]
L-Valine, N-[(2S)-2-amino-1-hydroxy-3-[[(1Z)-hydroxy[(2R,3R)-3-(hydroxyiminomethyl)oxiranyl]methylene]amino]propylidene]-, (Z)- [ACD/Index Name]
N-(R,R)-3-epoxysuccinamoyl-(S)-2,3-diaminopropanoyl-L-valine
CB-25-I
N<sup>&β;</sup>-(<i>R,R</i>)-epoxysuccinamoyl-(S)-2,3-diaminopropanoyl-L-valine

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.7±0.1 g/cm3
Boiling Point: 597.2±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.8 mmHg at 25°C
Enthalpy of Vaporization: 102.1±6.0 kJ/mol
Flash Point: 315.0±32.9 °C
Index of Refraction: 1.658
Molar Refractivity: 70.5±0.5 cm3
#H bond acceptors: 10
#H bond donors: 7
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: -0.59
ACD/LogD (pH 5.5): -4.79
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -5.61
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 185 Å2
Polarizability: 28.0±0.5 10-24cm3
Surface Tension: 67.7±7.0 dyne/cm
Molar Volume: 191.5±7.0 cm3

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