ChemSpider 2D Image | Cyclopentyl (2R)-({(2S)-2-[(1R)-1-hydroxy-2-(hydroxyamino)-2-oxoethyl]-4-methylpentanoyl}amino)(phenyl)acetate | C21H30N2O6

Cyclopentyl (2R)-({(2S)-2-[(1R)-1-hydroxy-2-(hydroxyamino)-2-oxoethyl]-4-methylpentanoyl}amino)(phenyl)acetate

  • Molecular FormulaC21H30N2O6
  • Average mass406.473 Da
  • Monoisotopic mass406.210388 Da
  • ChemSpider ID78221516

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(2R)-({(2S)-2-[(1R)-1-Hydroxy-2-(hydroxyamino)-2-oxoéthyl]-4-méthylpentanoyl}amino)(phényl)acétate de cyclopentyle [French] [ACD/IUPAC Name]
Benzeneacetic acid, α-[[(2S)-2-[(1R)-1-hydroxy-2-(hydroxyamino)-2-oxoethyl]-4-methyl-1-oxopentyl]amino]-, cyclopentyl ester, (αR)- [ACD/Index Name]
Cyclopentyl (2R)-({(2S)-2-[(1R)-1-hydroxy-2-(hydroxyamino)-2-oxoethyl]-4-methylpentanoyl}amino)(phenyl)acetate [ACD/IUPAC Name]
Cyclopentyl-(2R)-({(2S)-2-[(1R)-1-hydroxy-2-(hydroxyamino)-2-oxoethyl]-4-methylpentanoyl}amino)(phenyl)acetat [German] [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:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.566
Molar Refractivity: 106.5±0.4 cm3
#H bond acceptors: 8
#H bond donors: 4
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 0
ACD/LogP: 2.23
ACD/LogD (pH 5.5): 1.92
ACD/BCF (pH 5.5): 17.10
ACD/KOC (pH 5.5): 265.56
ACD/LogD (pH 7.4): 1.92
ACD/BCF (pH 7.4): 16.97
ACD/KOC (pH 7.4): 263.63
Polar Surface Area: 125 Å2
Polarizability: 42.2±0.5 10-24cm3
Surface Tension: 55.7±5.0 dyne/cm
Molar Volume: 326.4±5.0 cm3

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