ChemSpider 2D Image | (2S,3S,4R,5R,6S)-1-[(2R,3S,4S)-3,4-Dihydroxy-2-(hydroxymethyl)tetrahydro-1-thiopheniumyl]-2,4,5,6,7-pentahydroxy-3-heptanyl sulfate | C12H24O12S2

(2S,3S,4R,5R,6S)-1-[(2R,3S,4S)-3,4-Dihydroxy-2-(hydroxymethyl)tetrahydro-1-thiopheniumyl]-2,4,5,6,7-pentahydroxy-3-heptanyl sulfate

  • Molecular FormulaC12H24O12S2
  • Average mass424.442 Da
  • Monoisotopic mass424.070923 Da
  • ChemSpider ID26327100

  • defined stereocentres - 9 of 9 defined stereocentres

More details:

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(2S,3S,4R,5R,6S)-1-[(2R,3S,4S)-3,4-Dihydroxy-2-(hydroxymethyl)tetrahydro-1-thiopheniumyl]-2,4,5,6,7-pentahydroxy-3-heptanyl sulfate [ACD/IUPAC Name]
(2S,3S,4R,5R,6S)-1-[(2R,3S,4S)-3,4-Dihydroxy-2-(hydroxymethyl)tetrahydro-1-thiopheniumyl]-2,4,5,6,7-pentahydroxy-3-heptanylsulfat [German] [ACD/IUPAC Name]
Sulfate de (2S,3S,4R,5R,6S)-1-[(2R,3S,4S)-3,4-dihydroxy-2-(hydroxyméthyl)tétrahydro-1-thiophéniumyl]-2,4,5,6,7-pentahydroxy-3-heptanyle [French] [ACD/IUPAC Name]
214491-07-3 [RN]
Kotalanol

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

Density:
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 12
#H bond donors: 9
#Freely Rotating Bonds: 10
#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: 237 Å2
Polarizability:
Surface Tension:
Molar Volume:

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