Found 3 results

Search term: ZGFPXSOXQPTUJS (Found by InChIKey (skeleton match))
ChemSpider 2D Image | (2R,3R,4S)-2-(Hydroxymethyl)-1-[(4-methylphenyl)sulfonyl]-3,4-pyrrolidinediol | C12H17NO5S

(2R,3R,4S)-2-(Hydroxymethyl)-1-[(4-methylphenyl)sulfonyl]-3,4-pyrrolidinediol

  • Molecular FormulaC12H17NO5S
  • Average mass287.332 Da
  • Monoisotopic mass287.082733 Da
  • ChemSpider ID30908494

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(2R,3R,4S)-2-(Hydroxymethyl)-1-[(4-methylphenyl)sulfonyl]-3,4-pyrrolidindiol [German] [ACD/IUPAC Name]
(2R,3R,4S)-2-(Hydroxymethyl)-1-[(4-methylphenyl)sulfonyl]-3,4-pyrrolidinediol [ACD/IUPAC Name]
(2R,3R,4S)-2-(Hydroxyméthyl)-1-[(4-méthylphényl)sulfonyl]-3,4-pyrrolidinediol [French] [ACD/IUPAC Name]
3,4-Pyrrolidinediol, 2-(hydroxymethyl)-1-[(4-methylphenyl)sulfonyl]-, (2R,3R,4S)- [ACD/Index Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 493.8±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 80.1±3.0 kJ/mol
Flash Point: 252.4±31.5 °C
Index of Refraction: 1.630
Molar Refractivity: 69.7±0.4 cm3
#H bond acceptors: 6
#H bond donors: 3
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: -0.04
ACD/LogD (pH 5.5): 0.06
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 25.65
ACD/LogD (pH 7.4): 0.06
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 25.65
Polar Surface Area: 106 Å2
Polarizability: 27.6±0.5 10-24cm3
Surface Tension: 68.6±3.0 dyne/cm
Molar Volume: 195.9±3.0 cm3

Click to predict properties on the Chemicalize site


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