ChemSpider 2D Image | 2,2'-[(2-{[2-({[(2S,3S,4R,5R)-5-(2,4-Dioxo-3,4-dihydro-1(2H)-pyrimidinyl)-3,4-dihydroxytetrahydro-2-furanyl]carbonyl}amino)ethyl]amino}-2-oxoethyl)imino]diacetic acid (non-preferred name) | C17H23N5O11

2,2'-[(2-{[2-({[(2S,3S,4R,5R)-5-(2,4-Dioxo-3,4-dihydro-1(2H)-pyrimidinyl)-3,4-dihydroxytetrahydro-2-furanyl]carbonyl}amino)ethyl]amino}-2-oxoethyl)imino]diacetic acid (non-preferred name)

  • Molecular FormulaC17H23N5O11
  • Average mass473.391 Da
  • Monoisotopic mass473.139404 Da
  • ChemSpider ID35033513
  • defined stereocentres - 4 of 4 defined stereocentres


More details:






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

2,2'-[(2-{[2-({[(2S,3S,4R,5R)-5-(2,4-Dioxo-3,4-dihydro-1(2H)-pyrimidinyl)-3,4-dihydroxytetrahydro-2-furanyl]carbonyl}amino)ethyl]amino}-2-oxoethyl)imino]diacetic acid (non-preferred name) [ACD/IUPAC Name]
2,2'-[(2-{[2-({[(2S,3S,4R,5R)-5-(2,4-Dioxo-3,4-dihydro-1(2H)-pyrimidinyl)-3,4-dihydroxytetrahydro-2-furanyl]carbonyl}amino)ethyl]amino}-2-oxoethyl)imino]diessigsäure (non-preferred name) [German] [ACD/IUPAC Name]
2,2'-[(2-{[2-({[(2s,3s,4r,5r)-5-(2,4-Dioxo-3,4-Dihydropyrimidin-1(2h)-Yl)-3,4-Dihydroxytetrahydrofuran-2-Yl]carbonyl}amino)ethyl]amino}-2-Oxoethyl)imino]diacetic Acid (Non-Preferred Name)
Acide 2,2'-[(2-{[2-({[(2S,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl)-3,4-dihydroxytétrahydro-2-furanyl]carbonyl}amino)éthyl]amino}-2-oxoéthyl)imino]diacétique (non-preferred name) [French] [ACD/IUPAC Name]
0YQ

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.7±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.636
Molar Refractivity: 102.2±0.3 cm3
#H bond acceptors: 16
#H bond donors: 7
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 2
ACD/LogP: -3.39
ACD/LogD (pH 5.5): -7.08
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -7.51
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 235 Å2
Polarizability: 40.5±0.5 10-24cm3
Surface Tension: 94.0±3.0 dyne/cm
Molar Volume: 285.3±3.0 cm3

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