ChemSpider 2D Image | (2S)-2-(Hydroxyamino)-7-(methylsulfanyl)heptanoate | C8H16NO3S

(2S)-2-(Hydroxyamino)-7-(methylsulfanyl)heptanoate

  • Molecular FormulaC8H16NO3S
  • Average mass206.283 Da
  • Monoisotopic mass206.085632 Da
  • ChemSpider ID76962826

  • 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)-7-(methylsulfanyl)heptanoat [German] [ACD/IUPAC Name]
(2S)-2-(Hydroxyamino)-7-(methylsulfanyl)heptanoate [ACD/IUPAC Name]
(2S)-2-(Hydroxyamino)-7-(méthylsulfanyl)heptanoate [French] [ACD/IUPAC Name]
Heptanoic acid, 2-(hydroxyamino)-7-(methylthio)-, ion(1-), (2S)- [ACD/Index Name]
N-hydroxytrihomomethionine
N-hydroxy-L-trihomomethioninate
N-hydroxy-L-trihomomethionine
  • Miscellaneous

    • Chemical Class:

      An N-hydroxy-L-polyhomomethioninate that is the conjugate base of N-hydroxy-L-trihomomethionine, obtained by deprotonation of th; e carboxy group; major species at pH 7.3. ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:134666
      An N-hydroxy-L-polyhomomethioninate that is the conjugate base of N-hydroxy-L-trihomomethionine, obtained by deprotonation of the carboxy group; major species at pH 7.3. ChEBI CHEBI:134666

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

Density:
Boiling Point: 389.0±52.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 73.8±6.0 kJ/mol
Flash Point: 189.1±30.7 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 4
#H bond donors: 3
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 1.24
ACD/LogD (pH 5.5): -1.29
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.86
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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