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Search term: YYBFBMWRCGDISH-SXUWKVJYSA-N (Found by InChIKey (full match))
ChemSpider 2D Image | (2R,3S,4R,5R,6S)-3,4,5-Trihydroxy-6-methyl-2-piperidinesulfonic acid | C6H13NO6S

(2R,3S,4R,5R,6S)-3,4,5-Trihydroxy-6-methyl-2-piperidinesulfonic acid

  • Molecular FormulaC6H13NO6S
  • Average mass227.236 Da
  • Monoisotopic mass227.046356 Da
  • ChemSpider ID23267015

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

(2R,3S,4R,5R,6S)-3,4,5-Trihydroxy-6-methyl-2-piperidinesulfonic acid [ACD/IUPAC Name]
(2R,3S,4R,5R,6S)-3,4,5-Trihydroxy-6-methyl-2-piperidinsulfonsäure [German] [ACD/IUPAC Name]
2-Piperidinesulfonic acid, 3,4,5-trihydroxy-6-methyl-, (2R,3S,4R,5R,6S)- [ACD/Index Name]
Acide (2R,3S,4R,5R,6S)-3,4,5-trihydroxy-6-méthyl-2-pipéridinesulfonique [French] [ACD/IUPAC Name]
(2R,3S,4R,5R,6S)-3,4,5-trihydroxy-6-methylpiperidine-2-sulfonic acid
CHEMBL383067
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL383067/

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

Density: 1.7±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.627
Molar Refractivity: 46.3±0.4 cm3
#H bond acceptors: 7
#H bond donors: 5
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 1
ACD/LogP: -2.64
ACD/LogD (pH 5.5): -5.44
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -5.74
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 135 Å2
Polarizability: 18.3±0.5 10-24cm3
Surface Tension: 94.1±5.0 dyne/cm
Molar Volume: 130.5±5.0 cm3

Click to predict properties on the Chemicalize site


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