ChemSpider 2D Image | N-[(2R,3S)-1-Carbamimidoyl-2-ethoxy-3-piperidinyl]-6-hydroxy-1-[(2R)-2-{[(2R)-2-hydroxy-3-(4-hydroxyphenyl)propanoyl]amino}-3-(4-hydroxyphenyl)propanoyl]octahydro-1H-indole-2-carboxamide (non-preferre d name) | C35H48N6O8

N-[(2R,3S)-1-Carbamimidoyl-2-ethoxy-3-piperidinyl]-6-hydroxy-1-[(2R)-2-{[(2R)-2-hydroxy-3-(4-hydroxyphenyl)propanoyl]amino}-3-(4-hydroxyphenyl)propanoyl]octahydro-1H-indole-2-carboxamide (non-preferre d name)

  • Molecular FormulaC35H48N6O8
  • Average mass680.791 Da
  • Monoisotopic mass680.353333 Da
  • ChemSpider ID8185357

  • defined stereocentres - 4 of 8 defined stereocentres

More details:

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

N-[(2R,3S)-1-Carbamimidoyl-2-ethoxy-3-piperidinyl]-6-hydroxy-1-[(2R)-2-{[(2R)-2-hydroxy-3-(4-hydroxyphenyl)propanoyl]amino}-3-(4-hydroxyphenyl)propanoyl]octahydro-1H-indol-2-carboxamid (non-preferred name) [German] [ACD/IUPAC Name]
N-[(2R,3S)-1-Carbamimidoyl-2-ethoxy-3-piperidinyl]-6-hydroxy-1-[(2R)-2-{[(2R)-2-hydroxy-3-(4-hydroxyphenyl)propanoyl]amino}-3-(4-hydroxyphenyl)propanoyl]octahydro-1H-indole-2-carboxamide (non-preferre d name) [ACD/IUPAC Name]
N-[(2R,3S)-1-Carbamimidoyl-2-éthoxy-3-pipéridinyl]-6-hydroxy-1-[(2R)-2-{[(2R)-2-hydroxy-3-(4-hydroxyphényl)propanoyl]amino}-3-(4-hydroxyphényl)propanoyl]octahydro-1H-indole-2-carboxamide (non-preferre d name) [French] [ACD/IUPAC Name]
Aeruginosin 103-A

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

Density: 1.5±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.686
Molar Refractivity: 176.1±0.5 cm3
#H bond acceptors: 14
#H bond donors: 9
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 3
ACD/LogP: -0.24
ACD/LogD (pH 5.5): -1.11
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.11
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 222 Å2
Polarizability: 69.8±0.5 10-24cm3
Surface Tension: 63.1±7.0 dyne/cm
Molar Volume: 463.1±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement