ChemSpider 2D Image | (3E)-1-({[2-Amino-5-(carbamoyloxy)-3,4-dihydroxypentanoyl]amino}{3,4-dihydroxy-5-[5-(hydroxymethyl)-2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl]tetrahydro-2-furanyl}acetyl)-3-ethylidene-2-azetidinecarboxy lic acid | C23H32N6O14

(3E)-1-({[2-Amino-5-(carbamoyloxy)-3,4-dihydroxypentanoyl]amino}{3,4-dihydroxy-5-[5-(hydroxymethyl)-2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl]tetrahydro-2-furanyl}acetyl)-3-ethylidene-2-azetidinecarboxy lic acid

  • Molecular FormulaC23H32N6O14
  • Average mass616.532 Da
  • Monoisotopic mass616.197632 Da
  • ChemSpider ID4583850

  • Double-bond stereo - Double-bond stereo

More details:

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

(3E)-1-({[2-Amino-5-(carbamoyloxy)-3,4-dihydroxypentanoyl]amino}{3,4-dihydroxy-5-[5-(hydroxymethyl)-2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl]tetrahydro-2-furanyl}acetyl)-3-ethyliden-2-azetidincarbonsäu re [German] [ACD/IUPAC Name]
(3E)-1-({[2-Amino-5-(carbamoyloxy)-3,4-dihydroxypentanoyl]amino}{3,4-dihydroxy-5-[5-(hydroxymethyl)-2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl]tetrahydro-2-furanyl}acetyl)-3-ethylidene-2-azetidinecarboxy lic acid [ACD/IUPAC Name]
Acide (3E)-1-(2-{[2-amino-5-(carbamoyloxy)-3,4-dihydroxypentanoyl]amino}-2-{3,4-dihydroxy-5-[5-(hydroxyméthyl)-2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl]tétrahydro-2-furanyl}acétyl)-3-éthylidène-2-azéti dinecarboxylique [French] [ACD/IUPAC Name]

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

Density: 1.7±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.708
Molar Refractivity: 137.5±0.3 cm3
#H bond acceptors: 20
#H bond donors: 12
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 3
ACD/LogP: -1.25
ACD/LogD (pH 5.5): -5.44
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -6.28
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 325 Å2
Polarizability: 54.5±0.5 10-24cm3
Surface Tension: 115.1±3.0 dyne/cm
Molar Volume: 352.5±3.0 cm3

Click to predict properties on the Chemicalize site


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