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Search term: ITMFWUAKJPURIP-NINLVYDZSA-N (Found by InChIKey (full match))
ChemSpider 2D Image | N-{(2R)-3-{[(1R)-1-{[(Benzyloxy)carbonyl]amino}-2-phenylethyl](hydroxy)phosphoryl}-2-[(3-phenyl-1,2-oxazol-5-yl)methyl]propanoyl}-L-tryptophan | C40H39N4O8P

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

  • Molecular FormulaC40H39N4O8P
  • Average mass734.733 Da
  • Monoisotopic mass734.250549 Da
  • ChemSpider ID24640152

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

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

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

Density: 1.4±0.1 g/cm3
Boiling Point: 1102.8±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 169.8±3.0 kJ/mol
Flash Point: 620.8±34.3 °C
Index of Refraction: 1.647
Molar Refractivity: 197.1±0.3 cm3
#H bond acceptors: 12
#H bond donors: 5
#Freely Rotating Bonds: 17
#Rule of 5 Violations: 4
ACD/LogP: 6.22
ACD/LogD (pH 5.5): 0.55
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: 194 Å2
Polarizability: 78.1±0.5 10-24cm3
Surface Tension: 63.7±3.0 dyne/cm
Molar Volume: 542.3±3.0 cm3

Click to predict properties on the Chemicalize site


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