ChemSpider 2D Image | (2R)-2-Ammonio-3-{[(1R,2S)-2-hydroxy-1-phosphonatopropyl]sulfanyl}propanoate | C6H12NO6PS

(2R)-2-Ammonio-3-{[(1R,2S)-2-hydroxy-1-phosphonatopropyl]sulfanyl}propanoate

  • Molecular FormulaC6H12NO6PS
  • Average mass257.202 Da
  • Monoisotopic mass257.013397 Da
  • ChemSpider ID34999749

  • Charge - Charge

    defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(2R)-2-Ammonio-3-{[(1R,2S)-2-hydroxy-1-phosphonatopropyl]sulfanyl}propanoat [German] [ACD/IUPAC Name]
(2R)-2-Ammonio-3-{[(1R,2S)-2-hydroxy-1-phosphonatopropyl]sulfanyl}propanoate [ACD/IUPAC Name]
(2R)-2-Ammonio-3-{[(1R,2S)-2-hydroxy-1-phosphonatopropyl]sulfanyl}propanoate [French] [ACD/IUPAC Name]
L-Cysteine, S-[(1R,2S)-2-hydroxy-1-phosphonopropyl]-, inner salt, ion(2-) [ACD/Index Name]
(1R,2S)-1-(S-L-cysteinyl)-2-hydroxypropylphosphonate(2-)
(2R)-2-azaniumyl-3-{[(R,2S)-2-hydroxy-1-phosphonatopropyl]sulfanyl}propanoate
  • Miscellaneous

    • Chemical Class:

      An organophosphonate oxoanion obtained by deprotonation of the carboxy and phosphonate groups as well as protonation of the amino group of (1R,2S)-1-(S-L-cysteinyl)-2-hydroxypropylphosphonate; major s pecies at pH 7.3. ChEBI CHEBI:85580

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

Density:
Boiling Point: 574.1±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.6 mmHg at 25°C
Enthalpy of Vaporization: 98.8±6.0 kJ/mol
Flash Point: 301.0±32.9 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 7
#H bond donors: 6
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: -1.06
ACD/LogD (pH 5.5): -5.63
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -6.11
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 186 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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