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Search term: YJNWDJIIFRGLRO-ZCLHRBOTSA-N (Found by InChIKey (full match))
ChemSpider 2D Image | N-{(2S)-3-{[(1R)-1-{[(Benzyloxy)carbonyl]amino}-2-phenylethyl](hydroxy)phosphoryl}-2-[(3-phenyl-1,2-oxazol-5-yl)methyl]propanoyl}-L-phenylalanine | C38H38N3O8P

N-{(2S)-3-{[(1R)-1-{[(Benzyloxy)carbonyl]amino}-2-phenylethyl](hydroxy)phosphoryl}-2-[(3-phenyl-1,2-oxazol-5-yl)methyl]propanoyl}-L-phenylalanine

  • Molecular FormulaC38H38N3O8P
  • Average mass695.697 Da
  • Monoisotopic mass695.239624 Da
  • ChemSpider ID24633412

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

L-Phenylalanine, N-[(2S)-3-[hydroxy[(1R)-2-phenyl-1-[[(phenylmethoxy)carbonyl]amino]ethyl]phosphinyl]-1-oxo-2-[(3-phenyl-5-isoxazolyl)methyl]propyl]- [ACD/Index Name]
N-{(2S)-3-{[(1R)-1-{[(Benzyloxy)carbonyl]amino}-2-phenylethyl](hydroxy)phosphoryl}-2-[(3-phenyl-1,2-oxazol-5-yl)methyl]propanoyl}-L-phenylalanin [German] [ACD/IUPAC Name]
N-{(2S)-3-{[(1R)-1-{[(Benzyloxy)carbonyl]amino}-2-phenylethyl](hydroxy)phosphoryl}-2-[(3-phenyl-1,2-oxazol-5-yl)methyl]propanoyl}-L-phenylalanine [ACD/IUPAC Name]
N-{(2S)-3-{[(1R)-1-{[(Benzyloxy)carbonyl]amino}-2-phényléthyl](hydroxy)phosphoryl}-2-[(3-phényl-1,2-oxazol-5-yl)méthyl]propanoyl}-L-phénylalanine [French] [ACD/IUPAC Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 1029.4±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 157.6±3.0 kJ/mol
Flash Point: 576.4±34.3 °C
Index of Refraction: 1.614
Molar Refractivity: 184.8±0.3 cm3
#H bond acceptors: 11
#H bond donors: 4
#Freely Rotating Bonds: 17
#Rule of 5 Violations: 3
ACD/LogP: 6.29
ACD/LogD (pH 5.5): 0.36
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.22
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 178 Å2
Polarizability: 73.3±0.5 10-24cm3
Surface Tension: 59.0±3.0 dyne/cm
Molar Volume: 529.9±3.0 cm3

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