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ChemSpider 2D Image | [({(2S,3S)-4-[(2R,3S,4S)-3,4-Dihydroxy-2-(hydroxymethyl)tetrahydro-1-thiopheniumyl]-1,3-dihydroxy-2-butanyl}oxy)-lambda~4~-sulfanetriyl]trioxidanide | C9H18O9S2

[({(2S,3S)-4-[(2R,3S,4S)-3,4-Dihydroxy-2-(hydroxymethyl)tetrahydro-1-thiopheniumyl]-1,3-dihydroxy-2-butanyl}oxy)-λ4-sulfanetriyl]trioxidanide

  • Molecular FormulaC9H18O9S2
  • Average mass334.365 Da
  • Monoisotopic mass334.040314 Da
  • ChemSpider ID26328991
  • Charge - Charge

    defined stereocentres - 6 of 6 defined stereocentres


More details:





Date of deprecation: 10:11, Aug 26, 2015
Reason for deprecation: Deprecate record: there are no supporting data sources.

If you believe this record was deprecated in error, please use the Comment on this record button to contact the ChemSpider team.

Common reasons for deprecation are:
  • Chemically impossible structures (eg. incorrect valence atoms)
  • Lack of any linking data sources
  • Poor depiction of a structure that is already in ChemSpider

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

[({(2S,3S)-4-[(2R,3S,4S)-3,4-Dihydroxy-2-(hydroxymethyl)tetrahydro-1-thiopheniumyl]-1,3-dihydroxy-2-butanyl}oxy)-λ4-sulfanetriyl]trioxidanide [ACD/IUPAC Name]
[({(2S,3S)-4-[(2R,3S,4S)-3,4-Dihydroxy-2-(hydroxyméthyl)tétrahydro-1-thiophéniumyl]-1,3-dihydroxy-2-butanyl}oxy)-λ4-sulfanetriyl]trioxydanide [French] [ACD/IUPAC Name]
[({(2S,3S)-4-[(2R,3S,4S)-3,4-Dihydroxy-2-(hydroxymethyl)tetrahydro-1-thiopheniumyl]-1,3-dihydroxy-2-butanyl}oxy)-λ4-sulfantriyl]trioxidanid [German] [ACD/IUPAC Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density:
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 9
#H bond donors: 8
#Freely Rotating Bonds: 7
#Rule of 5 Violations:
ACD/LogP:
ACD/LogD (pH 5.5):
ACD/BCF (pH 5.5):
ACD/KOC (pH 5.5):
ACD/LogD (pH 7.4):
ACD/BCF (pH 7.4):
ACD/KOC (pH 7.4):
Polar Surface Area: 180 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site






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