ChemSpider 2D Image | (1S)-1,5-Anhydro-2,3,6-trideoxy-6-[(methoxyacetyl)amino]-1-{[5-(4-morpholinylmethyl)-1,2-oxazol-3-yl]methyl}-D-erythro-hexitol | C18H29N3O6

(1S)-1,5-Anhydro-2,3,6-trideoxy-6-[(methoxyacetyl)amino]-1-{[5-(4-morpholinylmethyl)-1,2-oxazol-3-yl]methyl}-D-erythro-hexitol

  • Molecular FormulaC18H29N3O6
  • Average mass383.439 Da
  • Monoisotopic mass383.205627 Da
  • ChemSpider ID29856743

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(1S)-1,5-Anhydro-2,3,6-trideoxy-6-[(methoxyacetyl)amino]-1-{[5-(4-morpholinylmethyl)-1,2-oxazol-3-yl]methyl}-D-erythro-hexitol [ACD/IUPAC Name]
(1S)-1,5-Anhydro-2,3,6-tridésoxy-6-[(2-méthoxyacétyl)amino]-1-{[5-(4-morpholinylméthyl)-1,2-oxazol-3-yl]méthyl}-D-érythro-hexitol [French] [ACD/IUPAC Name]
(1S)-1,5-Anhydro-2,3,6-tridesoxy-6-[(methoxyacetyl)amino]-1-{[5-(4-morpholinylmethyl)-1,2-oxazol-3-yl]methyl}-D-erythro-hexitol [German] [ACD/IUPAC Name]
D-arabino-Heptitol, 2,6-anhydro-1,3,4,7-tetradeoxy-7-[(2-methoxyacetyl)amino]-1-[5-(4-morpholinylmethyl)-3-isoxazolyl]- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 611.8±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 95.5±3.0 kJ/mol
Flash Point: 323.8±31.5 °C
Index of Refraction: 1.535
Molar Refractivity: 96.3±0.3 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: -2.83
ACD/LogD (pH 5.5): -1.38
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 3.22
ACD/LogD (pH 7.4): -1.13
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 5.78
Polar Surface Area: 106 Å2
Polarizability: 38.2±0.5 10-24cm3
Surface Tension: 51.1±3.0 dyne/cm
Molar Volume: 309.1±3.0 cm3

Click to predict properties on the Chemicalize site


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