ChemSpider 2D Image | N-{[(7-Methyl-4-oxo-1,2,3,4-tetrahydrocyclopenta[c]chromen-9-yl)oxy]acetyl}-L-methionyl-beta-alanine | C23H28N2O7S

N-{[(7-Methyl-4-oxo-1,2,3,4-tetrahydrocyclopenta[c]chromen-9-yl)oxy]acetyl}-L-methionyl-β-alanine

  • Molecular FormulaC23H28N2O7S
  • Average mass476.543 Da
  • Monoisotopic mass476.161713 Da
  • ChemSpider ID21830736

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

N-{[(7-Methyl-4-oxo-1,2,3,4-tetrahydrocyclopenta[c]chromen-9-yl)oxy]acetyl}-L-methionyl-β-alanin [German] [ACD/IUPAC Name]
N-{[(7-Methyl-4-oxo-1,2,3,4-tetrahydrocyclopenta[c]chromen-9-yl)oxy]acetyl}-L-methionyl-β-alanine [ACD/IUPAC Name]
N-{2-[(7-Méthyl-4-oxo-1,2,3,4-tétrahydrocyclopenta[c]chromén-9-yl)oxy]acétyl}-L-méthionyl-β-alanine [French] [ACD/IUPAC Name]
β-Alanine, N-[2-[(1,2,3,4-tetrahydro-7-methyl-4-oxobenzo[b]cyclopenta[d]pyran-9-yl)oxy]acetyl]-L-methionyl- [ACD/Index Name]
(S)-3-(2-(2-((7-methyl-4-oxo-1,2,3,4-tetrahydrocyclopenta[c]chromen-9-yl)oxy)acetamido)-4-(methylthio)butanamido)propanoic acid
1177669-47-4 [RN]
3-{(2S)-2-[2-(7-methyl-4-oxo(1,2,3-trihydrocyclopenta[2,1-c]chromen-9-yloxy))acetylamino]-4-methylthiobutanoylamino}propanoic acid
3-{2-[2-(7-Methyl-4-oxo-1,2,3,4-tetrahydro-cyclopenta[c]chromen-9-yloxy)-acetylamino]-4-methylsulfanyl-butyrylamino}-propionic acid

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

Density: 1.4±0.1 g/cm3
Boiling Point: 874.3±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 133.1±3.0 kJ/mol
Flash Point: 482.6±34.3 °C
Index of Refraction: 1.615
Molar Refractivity: 121.6±0.4 cm3
#H bond acceptors: 9
#H bond donors: 3
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 0
ACD/LogP: 2.72
ACD/LogD (pH 5.5): 1.05
ACD/BCF (pH 5.5): 1.74
ACD/KOC (pH 5.5): 20.97
ACD/LogD (pH 7.4): -0.71
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 156 Å2
Polarizability: 48.2±0.5 10-24cm3
Surface Tension: 64.2±5.0 dyne/cm
Molar Volume: 348.3±5.0 cm3

Click to predict properties on the Chemicalize site


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