ChemSpider 2D Image | 3-{[(5-Amino-4-chloro-1H-pyrazol-3-yl)carbonyl]amino}-1,5-anhydro-2,3-dideoxy-4-O-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-D-threo-pentitol | C15H20ClN5O4

3-{[(5-Amino-4-chloro-1H-pyrazol-3-yl)carbonyl]amino}-1,5-anhydro-2,3-dideoxy-4-O-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-D-threo-pentitol

  • Molecular FormulaC15H20ClN5O4
  • Average mass369.803 Da
  • Monoisotopic mass369.120392 Da
  • ChemSpider ID35047476

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

3-{[(5-Amino-4-chlor-1H-pyrazol-3-yl)carbonyl]amino}-1,5-anhydro-2,3-didesoxy-4-O-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-D-threo-pentitol [German] [ACD/IUPAC Name]
3-{[(5-Amino-4-chloro-1H-pyrazol-3-yl)carbonyl]amino}-1,5-anhydro-2,3-dideoxy-4-O-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-D-threo-pentitol [ACD/IUPAC Name]
3-{[(5-Amino-4-chloro-1H-pyrazol-3-yl)carbonyl]amino}-1,5-anhydro-2,3-didésoxy-4-O-[(3,5-diméthyl-1,2-oxazol-4-yl)méthyl]-D-thréo-pentitol [French] [ACD/IUPAC Name]
D-threo-Pentitol, 3-[[(5-amino-4-chloro-1H-pyrazol-3-yl)carbonyl]amino]-1,5-anhydro-2,3-dideoxy-4-O-[(3,5-dimethyl-4-isoxazolyl)methyl]- [ACD/Index Name]
3-{[(5-amino-4-chloro-1H-pyrazol-3-yl)carbonyl]amino}-1,5-anhydro-2,3-dideoxy-4-O-[(3,5-dimethylisoxazol-4-yl)methyl]-D-threo-pentitol

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

Density: 1.4±0.1 g/cm3
Boiling Point: 615.6±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 91.3±3.0 kJ/mol
Flash Point: 326.1±31.5 °C
Index of Refraction: 1.605
Molar Refractivity: 88.7±0.4 cm3
#H bond acceptors: 9
#H bond donors: 4
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: -0.23
ACD/LogD (pH 5.5): 0.64
ACD/BCF (pH 5.5): 1.80
ACD/KOC (pH 5.5): 52.97
ACD/LogD (pH 7.4): 0.64
ACD/BCF (pH 7.4): 1.80
ACD/KOC (pH 7.4): 52.97
Polar Surface Area: 128 Å2
Polarizability: 35.2±0.5 10-24cm3
Surface Tension: 71.0±5.0 dyne/cm
Molar Volume: 257.6±5.0 cm3

Click to predict properties on the Chemicalize site


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