Found 1 result

Search term: FKYBDZSZSPXNKE-SDHOMARFSA-N (Found by InChIKey (full match))
ChemSpider 2D Image | (4R)-1-[(2S)-6-Amino-2-{[hydroxy(4-phenylbutyl)phosphoryl]oxy}hexanoyl]-4-cyclohexyl-L-proline | C27H43N2O6P

(4R)-1-[(2S)-6-Amino-2-{[hydroxy(4-phenylbutyl)phosphoryl]oxy}hexanoyl]-4-cyclohexyl-L-proline

  • Molecular FormulaC27H43N2O6P
  • Average mass522.614 Da
  • Monoisotopic mass522.285889 Da
  • ChemSpider ID23131472

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(4R)-1-[(2S)-6-Amino-2-{[hydroxy(4-phenylbutyl)phosphoryl]oxy}hexanoyl]-4-cyclohexyl-L-prolin [German] [ACD/IUPAC Name]
(4R)-1-[(2S)-6-Amino-2-{[hydroxy(4-phenylbutyl)phosphoryl]oxy}hexanoyl]-4-cyclohexyl-L-proline [ACD/IUPAC Name]
(4R)-1-[(2S)-6-Amino-2-{[hydroxy(4-phénylbutyl)phosphoryl]oxy}hexanoyl]-4-cyclohexyl-L-proline [French] [ACD/IUPAC Name]
L-Proline, 1-[(2S)-6-amino-2-[[hydroxy(4-phenylbutyl)phosphinyl]oxy]-1-oxohexyl]-4-cyclohexyl-, (4R)- [ACD/Index Name]
(2S,4R)-1-[(2S)-6-amino-2-{[hydroxy(4-phenylbutyl)phosphoryl]oxy}hexanoyl]-4-cyclohexylpyrrolidine-2-carboxylic acid
1-{6-Amino-2-[hydroxy-(4-phenyl-butyl)-phosphinoyloxy]-hexanoyl}-4-cyclohexyl-pyrrolidine-2-carboxylic acid
1-{6-Amino-2-[hydroxy-(4-phenyl-butyl)-phosphinoyloxy]-hexanoyl}-4-cyclohexyl-pyrrolidine-2-carboxylic acid.0.75H2O
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL286339/

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

Density: 1.2±0.1 g/cm3
Boiling Point: 733.6±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 112.4±3.0 kJ/mol
Flash Point: 397.5±35.7 °C
Index of Refraction: 1.559
Molar Refractivity: 138.2±0.3 cm3
#H bond acceptors: 8
#H bond donors: 4
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 1
ACD/LogP: 3.51
ACD/LogD (pH 5.5): -0.75
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -0.77
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 140 Å2
Polarizability: 54.8±0.5 10-24cm3
Surface Tension: 55.8±3.0 dyne/cm
Molar Volume: 428.2±3.0 cm3

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