ChemSpider 2D Image | 1,5-Anhydro-2,4-dideoxy-3-O-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-{[(2,6-dioxo-1,2,3,6-tetrahydro-4-pyrimidinyl)carbonyl]amino}-D-erythro-pentitol | C16H20N4O6

1,5-Anhydro-2,4-dideoxy-3-O-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-{[(2,6-dioxo-1,2,3,6-tetrahydro-4-pyrimidinyl)carbonyl]amino}-D-erythro-pentitol

  • Molecular FormulaC16H20N4O6
  • Average mass364.353 Da
  • Monoisotopic mass364.138275 Da
  • ChemSpider ID35038667

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

1,5-Anhydro-2,4-dideoxy-3-O-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-{[(2,6-dioxo-1,2,3,6-tetrahydro-4-pyrimidinyl)carbonyl]amino}-D-erythro-pentitol [ACD/IUPAC Name]
1,5-Anhydro-2,4-didesoxy-3-O-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-{[(2,6-dioxo-1,2,3,6-tetrahydro-4-pyrimidinyl)carbonyl]amino}-D-erythro-pentitol [German] [ACD/IUPAC Name]
1,5-Anhydro-2,4-didésoxy-3-O-[(3,5-diméthyl-1,2-oxazol-4-yl)méthyl]-4-{[(2,6-dioxo-1,2,3,6-tétrahydro-4-pyrimidinyl)carbonyl]amino}-D-érythro-pentitol [French] [ACD/IUPAC Name]
D-erythro-Pentitol, 1,5-anhydro-2,4-dideoxy-3-O-[(3,5-dimethyl-4-isoxazolyl)methyl]-4-[[(1,2,3,6-tetrahydro-2,6-dioxo-4-pyrimidinyl)carbonyl]amino]- [ACD/Index Name]
1,5-anhydro-2,4-dideoxy-3-O-[(3,5-dimethylisoxazol-4-yl)methyl]-4-{[(2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)carbonyl]amino}-D-erythro-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: 1.589
Molar Refractivity: 87.6±0.4 cm3
#H bond acceptors: 10
#H bond donors: 3
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: -1.14
ACD/LogD (pH 5.5): -0.89
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 5.90
ACD/LogD (pH 7.4): -2.24
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 132 Å2
Polarizability: 34.7±0.5 10-24cm3
Surface Tension: 63.4±5.0 dyne/cm
Molar Volume: 260.0±5.0 cm3

Click to predict properties on the Chemicalize site


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