ChemSpider 2D Image | (3R,4S,5R)-2-Dodecyl-5-[(1R)-1-hydroxyethyl]-4-(hydroxymethyl)-N-[2-(1H-indol-3-yl)ethyl]-1,2-oxazolidine-3-carboxamide | C29H47N3O4

(3R,4S,5R)-2-Dodecyl-5-[(1R)-1-hydroxyethyl]-4-(hydroxymethyl)-N-[2-(1H-indol-3-yl)ethyl]-1,2-oxazolidine-3-carboxamide

  • Molecular FormulaC29H47N3O4
  • Average mass501.701 Da
  • Monoisotopic mass501.356659 Da
  • ChemSpider ID9751746

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(3R,4S,5R)-2-Dodecyl-5-[(1R)-1-hydroxyethyl]-4-(hydroxymethyl)-N-[2-(1H-indol-3-yl)ethyl]-1,2-oxazolidin-3-carboxamid [German] [ACD/IUPAC Name]
(3R,4S,5R)-2-Dodecyl-5-[(1R)-1-hydroxyethyl]-4-(hydroxymethyl)-N-[2-(1H-indol-3-yl)ethyl]-1,2-oxazolidine-3-carboxamide [ACD/IUPAC Name]
(3R,4S,5R)-2-Dodécyl-5-[(1R)-1-hydroxyéthyl]-4-(hydroxyméthyl)-N-[2-(1H-indol-3-yl)éthyl]-1,2-oxazolidine-3-carboxamide [French] [ACD/IUPAC Name]
3-Isoxazolidinecarboxamide, 2-dodecyl-5-[(1R)-1-hydroxyethyl]-4-(hydroxymethyl)-N-[2-(1H-indol-3-yl)ethyl]-, (3R,4S,5R)- [ACD/Index Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.554
Molar Refractivity: 145.9±0.3 cm3
#H bond acceptors: 7
#H bond donors: 4
#Freely Rotating Bonds: 17
#Rule of 5 Violations: 1
ACD/LogP: 4.94
ACD/LogD (pH 5.5): 5.59
ACD/BCF (pH 5.5): 10363.27
ACD/KOC (pH 5.5): 26054.00
ACD/LogD (pH 7.4): 5.59
ACD/BCF (pH 7.4): 10363.89
ACD/KOC (pH 7.4): 26055.58
Polar Surface Area: 98 Å2
Polarizability: 57.8±0.5 10-24cm3
Surface Tension: 46.5±3.0 dyne/cm
Molar Volume: 454.9±3.0 cm3

Click to predict properties on the Chemicalize site


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