ChemSpider 2D Image | (S)-osutidine | C19H28N4O5S2

(S)-osutidine

  • Molecular FormulaC19H28N4O5S2
  • Average mass456.579 Da
  • Monoisotopic mass456.150116 Da
  • ChemSpider ID34995456

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(S)-osutidine
Methanesulfonamide, N-[(1E)-[[(2S)-2-hydroxy-2-(4-hydroxyphenyl)ethyl]amino][[2-[[[5-[(methylamino)methyl]-2-furanyl]methyl]thio]ethyl]amino]methylene]- [ACD/Index Name]
N-[(E)-{[(2S)-2-Hydroxy-2-(4-hydroxyphenyl)ethyl]amino}({2-[({5-[(methylamino)methyl]-2-furyl}methyl)sulfanyl]ethyl}amino)methylen]methansulfonamid [German] [ACD/IUPAC Name]
N-[(E)-{[(2S)-2-Hydroxy-2-(4-hydroxyphenyl)ethyl]amino}({2-[({5-[(methylamino)methyl]-2-furyl}methyl)sulfanyl]ethyl}amino)methylene]methanesulfonamide [ACD/IUPAC Name]
N-[(E)-{[(2S)-2-Hydroxy-2-(4-hydroxyphényl)éthyl]amino}({2-[({5-[(méthylamino)méthyl]-2-furyl}méthyl)sulfanyl]éthyl}amino)méthylène]méthanesulfonamide [French] [ACD/IUPAC Name]
123280-13-7 [RN]
140695-21-2 [RN]
osutidine [INN]
UNII-YDB1AQ7N4L

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

Density: 1.4±0.1 g/cm3
Boiling Point: 661.8±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 102.3±3.0 kJ/mol
Flash Point: 354.0±34.3 °C
Index of Refraction: 1.621
Molar Refractivity: 117.5±0.5 cm3
#H bond acceptors: 9
#H bond donors: 5
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 1
ACD/LogP: 0.65
ACD/LogD (pH 5.5): -2.39
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -0.97
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.46
Polar Surface Area: 170 Å2
Polarizability: 46.6±0.5 10-24cm3
Surface Tension: 53.4±7.0 dyne/cm
Molar Volume: 334.2±7.0 cm3

Click to predict properties on the Chemicalize site


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