ChemSpider 2D Image | (3S)-3-{[(Benzyloxy)carbonyl]amino}-5-{[4-(4-methoxyphenyl)-5-oxo-2,5-dihydro-3-furanyl]oxy}-4-oxopentanoic acid | C24H23NO9

(3S)-3-{[(Benzyloxy)carbonyl]amino}-5-{[4-(4-methoxyphenyl)-5-oxo-2,5-dihydro-3-furanyl]oxy}-4-oxopentanoic acid

  • Molecular FormulaC24H23NO9
  • Average mass469.441 Da
  • Monoisotopic mass469.137268 Da
  • ChemSpider ID23216826

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(3S)-3-{[(Benzyloxy)carbonyl]amino}-5-{[4-(4-methoxyphenyl)-5-oxo-2,5-dihydro-3-furanyl]oxy}-4-oxopentanoic acid [ACD/IUPAC Name]
(3S)-3-{[(Benzyloxy)carbonyl]amino}-5-{[4-(4-methoxyphenyl)-5-oxo-2,5-dihydro-3-furanyl]oxy}-4-oxopentansäure [German] [ACD/IUPAC Name]
(3S)-3-{[(benzyloxy)carbonyl]amino}-5-{[4-(4-methoxyphenyl)-5-oxo-2,5-dihydrofuran-3-yl]oxy}-4-oxopentanoic acid
Acide (3S)-3-{[(benzyloxy)carbonyl]amino}-5-{[4-(4-méthoxyphényl)-5-oxo-2,5-dihydro-3-furanyl]oxy}-4-oxopentanoïque [French] [ACD/IUPAC Name]
Pentanoic acid, 5-[[2,5-dihydro-4-(4-methoxyphenyl)-5-oxo-3-furanyl]oxy]-4-oxo-3-[[(phenylmethoxy)carbonyl]amino]-, (3S)- [ACD/Index Name]
(S)-3-Benzyloxycarbonylamino-5-[4-(4-methoxy-phenyl)-5-oxo-2,5-dihydro-furan-3-yloxy]-4-oxo-pentanoic acid

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

Density: 1.4±0.1 g/cm3
Boiling Point: 780.2±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.8 mmHg at 25°C
Enthalpy of Vaporization: 119.1±3.0 kJ/mol
Flash Point: 425.7±32.9 °C
Index of Refraction: 1.612
Molar Refractivity: 117.0±0.4 cm3
#H bond acceptors: 10
#H bond donors: 2
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 1
ACD/LogP: 3.66
ACD/LogD (pH 5.5): 1.32
ACD/BCF (pH 5.5): 2.60
ACD/KOC (pH 5.5): 26.10
ACD/LogD (pH 7.4): -0.42
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 137 Å2
Polarizability: 46.4±0.5 10-24cm3
Surface Tension: 64.0±5.0 dyne/cm
Molar Volume: 336.7±5.0 cm3

Click to predict properties on the Chemicalize site


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