ChemSpider 2D Image | 1,5-Anhydro-2,3-dideoxy-4-O-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-{[(2,5-dioxo-1-imidazolidinyl)acetyl]amino}-D-threo-pentitol | C16H22N4O6

1,5-Anhydro-2,3-dideoxy-4-O-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-{[(2,5-dioxo-1-imidazolidinyl)acetyl]amino}-D-threo-pentitol

  • Molecular FormulaC16H22N4O6
  • Average mass366.369 Da
  • Monoisotopic mass366.153931 Da
  • ChemSpider ID35087532

  • 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-4-O-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-{[(2,5-dioxo-1-imidazolidinyl)acetyl]amino}-D-threo-pentitol [ACD/IUPAC Name]
1,5-Anhydro-2,3-didesoxy-4-O-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-{[(2,5-dioxo-1-imidazolidinyl)acetyl]amino}-D-threo-pentitol [German] [ACD/IUPAC Name]
1,5-Anhydro-2,3-didésoxy-4-O-[(3,5-diméthyl-1,2-oxazol-4-yl)méthyl]-3-{[2-(2,5-dioxo-1-imidazolidinyl)acétyl]amino}-D-thréo-pentitol [French] [ACD/IUPAC Name]
D-threo-Pentitol, 1,5-anhydro-2,3-dideoxy-4-O-[(3,5-dimethyl-4-isoxazolyl)methyl]-3-[[2-(2,5-dioxo-1-imidazolidinyl)acetyl]amino]- [ACD/Index Name]
1,5-anhydro-2,3-dideoxy-4-O-[(3,5-dimethylisoxazol-4-yl)methyl]-3-{[(2,5-dioxoimidazolidin-1-yl)acetyl]amino}-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:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.578
Molar Refractivity: 88.1±0.4 cm3
#H bond acceptors: 10
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: -1.67
ACD/LogD (pH 5.5): -0.45
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 13.47
ACD/LogD (pH 7.4): -0.55
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 10.75
Polar Surface Area: 123 Å2
Polarizability: 34.9±0.5 10-24cm3
Surface Tension: 62.8±5.0 dyne/cm
Molar Volume: 265.6±5.0 cm3

Click to predict properties on the Chemicalize site


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