ChemSpider 2D Image | (2S)-2-(Hydroxyamino)-9-(methylsulfanyl)nonanoate | C10H20NO3S

(2S)-2-(Hydroxyamino)-9-(methylsulfanyl)nonanoate

  • Molecular FormulaC10H20NO3S
  • Average mass234.336 Da
  • Monoisotopic mass234.116943 Da
  • ChemSpider ID76962830

  • Charge - Charge

    defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(2S)-2-(Hydroxyamino)-9-(methylsulfanyl)nonanoat [German] [ACD/IUPAC Name]
(2S)-2-(Hydroxyamino)-9-(methylsulfanyl)nonanoate [ACD/IUPAC Name]
(2S)-2-(Hydroxyamino)-9-(méthylsulfanyl)nonanoate [French] [ACD/IUPAC Name]
Nonanoic acid, 2-(hydroxyamino)-9-(methylthio)-, ion(1-), (2S)- [ACD/Index Name]
N-hydroxy-L-pentahomomethioninate
N-hydroxy-L-pentahomomethionine
  • Miscellaneous

    • Chemical Class:

      An N-hydroxy-L-polyhomomethioninate that is the conjugate base of N-hydroxy-L-pentahomomethionine, obtained by deprotonation of ; the carboxy group; major species at pH 7.3. ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:134670
      An N-hydroxy-L-polyhomomethioninate that is the conjugate base of N-hydroxy-L-pentahomomethionine, obtained by deprotonation of the carboxy group; major species at pH 7.3. ChEBI CHEBI:134670

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

Density:
Boiling Point: 410.0±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 76.5±6.0 kJ/mol
Flash Point: 201.8±31.5 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 4
#H bond donors: 3
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 0
ACD/LogP: 2.30
ACD/LogD (pH 5.5): -0.38
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.27
ACD/LogD (pH 7.4): -0.93
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 98 Å2
Polarizability:
Surface Tension:
Molar Volume:

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