ChemSpider 2D Image | (3S,4R,5S,6S)-3,4,5-Trihydroxy-6-(hydroxymethyl)-2-piperidinesulfonic acid | C6H13NO7S

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

  • Molecular FormulaC6H13NO7S
  • Average mass243.235 Da
  • Monoisotopic mass243.041275 Da
  • ChemSpider ID111313349

  • defined stereocentres - 4 of 5 defined stereocentres

More details:

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

(3S,4R,5S,6S)-3,4,5-Trihydroxy-6-(hydroxymethyl)-2-piperidinesulfonic acid [ACD/IUPAC Name]
(3S,4R,5S,6S)-3,4,5-Trihydroxy-6-(hydroxymethyl)-2-piperidinsulfonsäure [German] [ACD/IUPAC Name]
2-Piperidinesulfonic acid, 3,4,5-trihydroxy-6-(hydroxymethyl)-, (3S,4R,5S,6S)- [ACD/Index Name]
Acide (3S,4R,5S,6S)-3,4,5-trihydroxy-6-(hydroxyméthyl)-2-pipéridinesulfonique [French] [ACD/IUPAC Name]

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

Density: 1.9±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.670
Molar Refractivity: 47.8±0.4 cm3
#H bond acceptors: 8
#H bond donors: 6
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 1
ACD/LogP: -3.36
ACD/LogD (pH 5.5): -6.12
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -6.81
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 156 Å2
Polarizability: 19.0±0.5 10-24cm3
Surface Tension: 119.7±5.0 dyne/cm
Molar Volume: 128.0±5.0 cm3

Click to predict properties on the Chemicalize site


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