ChemSpider 2D Image | Methyl (2R,4S,5S)-2-(3-aminopropyl)-5-[(2S,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl)-3,4-dihydroxytetrahydro-2-furanyl]-3-palmitoyl-1,3-oxazolidine-4-carboxylate | C32H54N4O9

Methyl (2R,4S,5S)-2-(3-aminopropyl)-5-[(2S,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl)-3,4-dihydroxytetrahydro-2-furanyl]-3-palmitoyl-1,3-oxazolidine-4-carboxylate

  • Molecular FormulaC32H54N4O9
  • Average mass638.793 Da
  • Monoisotopic mass638.389099 Da
  • ChemSpider ID25059843

  • defined stereocentres - 7 of 7 defined stereocentres

More details:

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

(2R,4S,5S)-2-(3-Aminopropyl)-5-[(2S,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl)-3,4-dihydroxytétrahydro-2-furanyl]-3-palmitoyl-1,3-oxazolidine-4-carboxylate de méthyle [French] [ACD/IUPAC Name]
4-Oxazolidinecarboxylic acid, 2-(3-aminopropyl)-5-[(2S,3S,4R,5R)-5-(3,4-dihydro-2,4-dioxo-1(2H)-pyrimidinyl)tetrahydro-3,4-dihydroxy-2-furanyl]-3-(1-oxohexadecyl)-, methyl ester, (2R,4S,5S)- [ACD/Index Name]
Methyl (2R,4S,5S)-2-(3-aminopropyl)-5-[(2S,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl)-3,4-dihydroxytetrahydro-2-furanyl]-3-palmitoyl-1,3-oxazolidine-4-carboxylate [ACD/IUPAC Name]
Methyl-(2R,4S,5S)-2-(3-aminopropyl)-5-[(2S,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl)-3,4-dihydroxytetrahydro-2-furanyl]-3-palmitoyl-1,3-oxazolidin-4-carboxylat [German] [ACD/IUPAC Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.540
Molar Refractivity: 166.1±0.3 cm3
#H bond acceptors: 13
#H bond donors: 5
#Freely Rotating Bonds: 21
#Rule of 5 Violations: 4
ACD/LogP: 6.47
ACD/LogD (pH 5.5): 1.80
ACD/BCF (pH 5.5): 2.47
ACD/KOC (pH 5.5): 8.82
ACD/LogD (pH 7.4): 2.27
ACD/BCF (pH 7.4): 7.29
ACD/KOC (pH 7.4): 25.97
Polar Surface Area: 181 Å2
Polarizability: 65.8±0.5 10-24cm3
Surface Tension: 52.3±3.0 dyne/cm
Molar Volume: 529.4±3.0 cm3

Click to predict properties on the Chemicalize site


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