ChemSpider 2D Image | 1,5-Anhydro-2,3-dideoxy-3-{[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]amino}-D-threo-pentitol | C10H16N2O5S

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

  • Molecular FormulaC10H16N2O5S
  • Average mass276.309 Da
  • Monoisotopic mass276.078003 Da
  • ChemSpider ID35047219

  • 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-{[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]amino}-D-threo-pentitol [ACD/IUPAC Name]
1,5-Anhydro-2,3-didesoxy-3-{[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]amino}-D-threo-pentitol [German] [ACD/IUPAC Name]
1,5-Anhydro-2,3-didésoxy-3-{[(3,5-diméthyl-1,2-oxazol-4-yl)sulfonyl]amino}-D-thréo-pentitol [French] [ACD/IUPAC Name]
D-threo-Pentitol, 1,5-anhydro-2,3-dideoxy-3-[[(3,5-dimethyl-4-isoxazolyl)sulfonyl]amino]- [ACD/Index Name]
1,5-anhydro-2,3-dideoxy-3-{[(3,5-dimethylisoxazol-4-yl)sulfonyl]amino}-D-threo-pentitol
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL4526116/

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

Density: 1.4±0.1 g/cm3
Boiling Point: 502.6±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 81.3±3.0 kJ/mol
Flash Point: 257.8±32.9 °C
Index of Refraction: 1.568
Molar Refractivity: 63.1±0.4 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: -0.95
ACD/LogD (pH 5.5): -0.17
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 19.38
ACD/LogD (pH 7.4): -0.17
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 19.09
Polar Surface Area: 110 Å2
Polarizability: 25.0±0.5 10-24cm3
Surface Tension: 62.8±5.0 dyne/cm
Molar Volume: 192.9±5.0 cm3

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