ChemSpider 2D Image | Methyl (3r)-1-[(5s,6s,8r)-5-Amino-9-Butylamino-6-Hydroxy-3,3,8-Trimethyl-9-Oxo-Nonanoyl]-3,4-Dihydro-2h-Quinoline-3-Carboxylate | C27H43N3O5

Methyl (3r)-1-[(5s,6s,8r)-5-Amino-9-Butylamino-6-Hydroxy-3,3,8-Trimethyl-9-Oxo-Nonanoyl]-3,4-Dihydro-2h-Quinoline-3-Carboxylate

  • Molecular FormulaC27H43N3O5
  • Average mass489.647 Da
  • Monoisotopic mass489.320282 Da
  • ChemSpider ID25057685

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(3R)-1-[(5S,6S,8R)-5-Amino-9-(butylamino)-6-hydroxy-3,3,8-triméthyl-9-oxononanoyl]-1,2,3,4-tétrahydro-3-quinoléinecarboxylate de méthyle [French] [ACD/IUPAC Name]
3-Quinolinecarboxylic acid, 1-[(5S,6S,8R)-5-amino-9-(butylamino)-6-hydroxy-3,3,8-trimethyl-1,9-dioxononyl]-1,2,3,4-tetrahydro-, methyl ester, (3R)- [ACD/Index Name]
Methyl (3R)-1-[(5S,6S,8R)-5-amino-9-(butylamino)-6-hydroxy-3,3,8-trimethyl-9-oxononanoyl]-1,2,3,4-tetrahydro-3-quinolinecarboxylate [ACD/IUPAC Name]
Methyl (3r)-1-[(5s,6s,8r)-5-Amino-9-Butylamino-6-Hydroxy-3,3,8-Trimethyl-9-Oxo-Nonanoyl]-3,4-Dihydro-2h-Quinoline-3-Carboxylate
Methyl-(3R)-1-[(5S,6S,8R)-5-amino-9-(butylamino)-6-hydroxy-3,3,8-trimethyl-9-oxononanoyl]-1,2,3,4-tetrahydro-3-chinolincarboxylat [German] [ACD/IUPAC Name]
C47

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

Density: 1.1±0.1 g/cm3
Boiling Point: 728.7±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 111.7±3.0 kJ/mol
Flash Point: 394.5±32.9 °C
Index of Refraction: 1.535
Molar Refractivity: 135.5±0.3 cm3
#H bond acceptors: 8
#H bond donors: 4
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 0
ACD/LogP: 2.88
ACD/LogD (pH 5.5): -0.02
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.48
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 2.90
Polar Surface Area: 122 Å2
Polarizability: 53.7±0.5 10-24cm3
Surface Tension: 46.8±3.0 dyne/cm
Molar Volume: 435.6±3.0 cm3

Click to predict properties on the Chemicalize site


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