ChemSpider 2D Image | (3E)-3-{[(1Z)-2-Acetamido-1,3-dihydroxy-1-propen-1-yl]imino}-4-({(1Z)-6-amino-1-[2-(dihydroxymethylene)-1-pyrrolidinyl]-1-hydroxy-1-hexen-2-yl}amino)-4-hydroxybutanoic acid | C20H33N5O9

(3E)-3-{[(1Z)-2-Acetamido-1,3-dihydroxy-1-propen-1-yl]imino}-4-({(1Z)-6-amino-1-[2-(dihydroxymethylene)-1-pyrrolidinyl]-1-hydroxy-1-hexen-2-yl}amino)-4-hydroxybutanoic acid

  • Molecular FormulaC20H33N5O9
  • Average mass487.504 Da
  • Monoisotopic mass487.227814 Da
  • ChemSpider ID95614983

More details:

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

(3E)-3-{[(1Z)-2-Acetamido-1,3-dihydroxy-1-propen-1-yl]imino}-4-({(1Z)-6-amino-1-[2-(dihydroxymethylen)-1-pyrrolidinyl]-1-hydroxy-1-hexen-2-yl}amino)-4-hydroxybutansäure [German] [ACD/IUPAC Name]
(3E)-3-{[(1Z)-2-Acetamido-1,3-dihydroxy-1-propen-1-yl]imino}-4-({(1Z)-6-amino-1-[2-(dihydroxymethylene)-1-pyrrolidinyl]-1-hydroxy-1-hexen-2-yl}amino)-4-hydroxybutanoic acid [ACD/IUPAC Name]
Acide (3E)-3-{[(1Z)-2-acétamido-1,3-dihydroxy-1-propén-1-yl]imino}-4-({(1Z)-6-amino-1-[2-(dihydroxyméthylène)-1-pyrrolidinyl]-1-hydroxy-1-hexén-2-yl}amino)-4-hydroxybutanoïque [French] [ACD/IUPAC Name]
Butanoic acid, 3-[[(1Z)-2-(acetylamino)-1,3-dihydroxy-1-propen-1-yl]imino]-4-[[(1Z)-5-amino-1-[[2-(dihydroxymethylene)-1-pyrrolidinyl]hydroxymethylene]pentyl]amino]-4-hydroxy-, (3E)- [ACD/Index Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 860.1±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 142.1±6.0 kJ/mol
Flash Point: 474.0±34.3 °C
Index of Refraction: 1.631
Molar Refractivity: 114.7±0.5 cm3
#H bond acceptors: 14
#H bond donors: 11
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 2
ACD/LogP: 2.50
ACD/LogD (pH 5.5): -4.72
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.03
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 241 Å2
Polarizability: 45.5±0.5 10-24cm3
Surface Tension: 65.4±7.0 dyne/cm
Molar Volume: 322.0±7.0 cm3

Click to predict properties on the Chemicalize site


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