Found 20 results

Search term: MF = 'C_{6}H_{12}NO_{4}'
ChemSpider 2D Image | (2S,3S)-2-(Dihydroxyamino)-3-methylpentanoate | C6H12NO4

(2S,3S)-2-(Dihydroxyamino)-3-methylpentanoate

  • Molecular FormulaC6H12NO4
  • Average mass162.164 Da
  • Monoisotopic mass162.077179 Da
  • ChemSpider ID26332134

  • Charge - Charge

    defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(2S,3S)-2-(Dihydroxyamino)-3-methylpentanoat [German] [ACD/IUPAC Name]
(2S,3S)-2-(Dihydroxyamino)-3-methylpentanoate [ACD/IUPAC Name]
(2S,3S)-2-(Dihydroxyamino)-3-méthylpentanoate [French] [ACD/IUPAC Name]
L-Isoleucine, N,N-dihydroxy-, ion(1-) [ACD/Index Name]
N,N-dihydroxy-L-isoleucine
N,N-dihydroxy-L-isoleucinate
N,N-dihydroxy-L-isoleucine anion
N,N-dihydroxy-L-isoleucine(1-)
  • Miscellaneous

    • Chemical Class:

      An N,N-dihydroxy-alpha-amino-acid anion resulting from removal of a proton from the carboxylic acid group of N,N-dihydroxy-L-isoleucine. ChEBI CHEBI:61133

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

Density:
Boiling Point: 354.3±44.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 69.4±6.0 kJ/mol
Flash Point: 168.1±28.4 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 5
#H bond donors: 3
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 0.75
ACD/LogD (pH 5.5): -2.08
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.58
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 84 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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