ChemSpider 2D Image | 1,5-Anhydro-2,3-dideoxy-3-{[(2,5-dichloro-4-methoxyphenyl)sulfonyl]amino}-D-threo-pentitol | C12H15Cl2NO5S

1,5-Anhydro-2,3-dideoxy-3-{[(2,5-dichloro-4-methoxyphenyl)sulfonyl]amino}-D-threo-pentitol

  • Molecular FormulaC12H15Cl2NO5S
  • Average mass356.222 Da
  • Monoisotopic mass355.004791 Da
  • ChemSpider ID35074983

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

1,5-Anhydro-2,3-dideoxy-3-{[(2,5-dichloro-4-methoxyphenyl)sulfonyl]amino}-D-threo-pentitol [ACD/IUPAC Name]
1,5-Anhydro-2,3-didesoxy-3-{[(2,5-dichlor-4-methoxyphenyl)sulfonyl]amino}-D-threo-pentitol [German] [ACD/IUPAC Name]
1,5-Anhydro-2,3-didésoxy-3-{[(2,5-dichloro-4-méthoxyphényl)sulfonyl]amino}-D-thréo-pentitol [French] [ACD/IUPAC Name]
D-threo-Pentitol, 1,5-anhydro-2,3-dideoxy-3-[[(2,5-dichloro-4-methoxyphenyl)sulfonyl]amino]- [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: 536.4±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 85.6±3.0 kJ/mol
Flash Point: 278.2±32.9 °C
Index of Refraction: 1.609
Molar Refractivity: 79.6±0.4 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 2.21
ACD/LogD (pH 5.5): 2.46
ACD/BCF (pH 5.5): 43.44
ACD/KOC (pH 5.5): 517.57
ACD/LogD (pH 7.4): 2.46
ACD/BCF (pH 7.4): 43.28
ACD/KOC (pH 7.4): 515.78
Polar Surface Area: 93 Å2
Polarizability: 31.5±0.5 10-24cm3
Surface Tension: 63.4±5.0 dyne/cm
Molar Volume: 229.8±5.0 cm3

Click to predict properties on the Chemicalize site


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