ChemSpider 2D Image | RS 39066 | C22H33N3O6

RS 39066

  • Molecular FormulaC22H33N3O6
  • Average mass435.514 Da
  • Monoisotopic mass435.236938 Da
  • ChemSpider ID23137211

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

169322-17-2 [RN]
4-[(N-{(2R)-2-[2-(Hydroxyamino)-2-oxoéthyl]-4-méthylpentanoyl}-L-leucyl)amino]benzoate de méthyle [French] [ACD/IUPAC Name]
Benzoic acid, 4-[[(2S)-2-[[(2R)-2-[2-(hydroxyamino)-2-oxoethyl]-4-methyl-1-oxopentyl]amino]-4-methyl-1-oxopentyl]amino]-, methyl ester [ACD/Index Name]
Methyl 4-[(N-{(2R)-2-[2-(hydroxyamino)-2-oxoethyl]-4-methylpentanoyl}-L-leucyl)amino]benzoate [ACD/IUPAC Name]
Methyl 4-[[(2S)-2-[[(2R)-2-[2-(hydroxyamino)-2-oxoethyl]-4-methyl-1-oxopentyl]amino]-4-methyl-1-oxopentyl]amino]benzoate
Methyl-4-[(N-{(2R)-2-[2-(hydroxyamino)-2-oxoethyl]-4-methylpentanoyl}-L-leucyl)amino]benzoat [German] [ACD/IUPAC Name]
RS 39066
4-[(S)-2-((R)-2-Hydroxycarbamoylmethyl-4-methyl-pentanoylamino)-4-methyl-pentanoylamino]-benzoic acid methyl ester
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL288896/
methyl 4-[[(2S)-2-[[(2R)-2-[2-(hydroxyamino)-2-oxoethyl]-4-methylpentanoyl]amino]-4-methylpentanoyl]amino]benzoate
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.2±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.543
Molar Refractivity: 116.5±0.3 cm3
#H bond acceptors: 9
#H bond donors: 4
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 0
ACD/LogP: 2.68
ACD/LogD (pH 5.5): 2.16
ACD/BCF (pH 5.5): 25.89
ACD/KOC (pH 5.5): 357.36
ACD/LogD (pH 7.4): 2.15
ACD/BCF (pH 7.4): 25.44
ACD/KOC (pH 7.4): 351.19
Polar Surface Area: 134 Å2
Polarizability: 46.2±0.5 10-24cm3
Surface Tension: 46.7±3.0 dyne/cm
Molar Volume: 369.4±3.0 cm3

Click to predict properties on the Chemicalize site


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