ChemSpider 2D Image | 3-O-(2-Amino-2-oxoethyl)-1,5-anhydro-2,4-dideoxy-4-{[(2-oxo-1-pyrrolidinyl)acetyl]amino}-D-erythro-pentitol | C13H21N3O5

3-O-(2-Amino-2-oxoethyl)-1,5-anhydro-2,4-dideoxy-4-{[(2-oxo-1-pyrrolidinyl)acetyl]amino}-D-erythro-pentitol

  • Molecular FormulaC13H21N3O5
  • Average mass299.323 Da
  • Monoisotopic mass299.148132 Da
  • ChemSpider ID35070850

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

3-O-(2-Amino-2-oxoethyl)-1,5-anhydro-2,4-dideoxy-4-{[(2-oxo-1-pyrrolidinyl)acetyl]amino}-D-erythro-pentitol [ACD/IUPAC Name]
3-O-(2-Amino-2-oxoethyl)-1,5-anhydro-2,4-didesoxy-4-{[(2-oxo-1-pyrrolidinyl)acetyl]amino}-D-erythro-pentitol [German] [ACD/IUPAC Name]
3-O-(2-Amino-2-oxoéthyl)-1,5-anhydro-2,4-didésoxy-4-{[2-(2-oxo-1-pyrrolidinyl)acétyl]amino}-D-érythro-pentitol [French] [ACD/IUPAC Name]
D-erythro-Pentitol, 3-O-(2-amino-2-oxoethyl)-1,5-anhydro-2,4-dideoxy-4-[[2-(2-oxo-1-pyrrolidinyl)acetyl]amino]- [ACD/Index Name]
3-O-(2-amino-2-oxoethyl)-1,5-anhydro-2,4-dideoxy-4-{[(2-oxopyrrolidin-1-yl)acetyl]amino}-D-erythro-pentitol

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

Density: 1.3±0.1 g/cm3
Boiling Point: 656.4±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 96.7±3.0 kJ/mol
Flash Point: 350.8±31.5 °C
Index of Refraction: 1.554
Molar Refractivity: 73.1±0.4 cm3
#H bond acceptors: 8
#H bond donors: 3
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: -2.90
ACD/LogD (pH 5.5): -2.00
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.95
ACD/LogD (pH 7.4): -2.00
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.95
Polar Surface Area: 111 Å2
Polarizability: 29.0±0.5 10-24cm3
Surface Tension: 57.4±5.0 dyne/cm
Molar Volume: 228.2±5.0 cm3

Click to predict properties on the Chemicalize site


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