ChemSpider 2D Image | jbir-34 | C21H25ClN4O7

jbir-34

  • Molecular FormulaC21H25ClN4O7
  • Average mass480.899 Da
  • Monoisotopic mass480.141174 Da
  • ChemSpider ID24663430

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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jbir-34
L-Serine, N-[[(4R)-2-(6-chloro-4-hydroxy-1,5-dimethyl-1H-indol-3-yl)-4,5-dihydro-4-methyl-4-oxazolyl]carbonyl]-D-alanyl- [ACD/Index Name]
N-{[(4R)-2-(6-Chlor-4-hydroxy-1,5-dimethyl-1H-indol-3-yl)-4-methyl-4,5-dihydro-1,3-oxazol-4-yl]carbonyl}-D-alanyl-L-serin [German] [ACD/IUPAC Name]
N-{[(4R)-2-(6-Chloro-4-hydroxy-1,5-dimethyl-1H-indol-3-yl)-4-methyl-4,5-dihydro-1,3-oxazol-4-yl]carbonyl}-D-alanyl-L-serine [ACD/IUPAC Name]
N-{[(4R)-2-(6-Chloro-4-hydroxy-1,5-diméthyl-1H-indol-3-yl)-4-méthyl-4,5-dihydro-1,3-oxazol-4-yl]carbonyl}-D-alanyl-L-sérine [French] [ACD/IUPAC Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 881.7±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 134.3±3.0 kJ/mol
Flash Point: 487.0±34.3 °C
Index of Refraction: 1.666
Molar Refractivity: 115.7±0.5 cm3
#H bond acceptors: 11
#H bond donors: 5
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: 1.61
ACD/LogD (pH 5.5): -1.36
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.32
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 162 Å2
Polarizability: 45.9±0.5 10-24cm3
Surface Tension: 58.7±7.0 dyne/cm
Molar Volume: 311.1±7.0 cm3

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