Found 13 results

Search term: MF = 'C_{44}H_{55}N_{3}O_{9}'
ChemSpider 2D Image | Methyl (4R,6R,7R,8S)-8-{[(2R)-1-(benzyloxy)-3-methyl-1-oxo-2-butanyl]amino}-7-hydroxy-4-[(2-hydroxy-4-methoxybenzyl)amino]-6-[(4-methoxybenzyl)amino]-5-oxo-9-phenylnonanoate | C44H55N3O9

Methyl (4R,6R,7R,8S)-8-{[(2R)-1-(benzyloxy)-3-methyl-1-oxo-2-butanyl]amino}-7-hydroxy-4-[(2-hydroxy-4-methoxybenzyl)amino]-6-[(4-methoxybenzyl)amino]-5-oxo-9-phenylnonanoate

  • Molecular FormulaC44H55N3O9
  • Average mass769.922 Da
  • Monoisotopic mass769.393860 Da
  • ChemSpider ID8029380

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

(4R,6R,7R,8S)-8-{[(2R)-1-(Benzyloxy)-3-méthyl-1-oxo-2-butanyl]amino}-7-hydroxy-4-[(2-hydroxy-4-méthoxybenzyl)amino]-6-[(4-méthoxybenzyl)amino]-5-oxo-9-phénylnonanoate de méthyle [French] [ACD/IUPAC Name]
L-galacto-5-Nonulosonic acid, 2,3,4,6,8,9-hexadeoxy-4-[[(2-hydroxy-4-methoxyphenyl)methyl]amino]-6-[[(4-methoxyphenyl)methyl]amino]-8-[[(1R)-2-methyl-1-[(phenylmethoxy)carbonyl]propyl]amino]-9-phenyl- , methyl ester [ACD/Index Name]
Methyl (4R,6R,7R,8S)-8-{[(2R)-1-(benzyloxy)-3-methyl-1-oxo-2-butanyl]amino}-7-hydroxy-4-[(2-hydroxy-4-methoxybenzyl)amino]-6-[(4-methoxybenzyl)amino]-5-oxo-9-phenylnonanoate [ACD/IUPAC Name]
Methyl-(4R,6R,7R,8S)-8-{[(2R)-1-(benzyloxy)-3-methyl-1-oxo-2-butanyl]amino}-7-hydroxy-4-[(2-hydroxy-4-methoxybenzyl)amino]-6-[(4-methoxybenzyl)amino]-5-oxo-9-phenylnonanoat [German] [ACD/IUPAC Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 876.9±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 133.5±3.0 kJ/mol
Flash Point: 484.2±34.3 °C
Index of Refraction: 1.579
Molar Refractivity: 214.3±0.3 cm3
#H bond acceptors: 12
#H bond donors: 5
#Freely Rotating Bonds: 25
#Rule of 5 Violations: 4
ACD/LogP: 10.00
ACD/LogD (pH 5.5): 6.08
ACD/BCF (pH 5.5): 13868.34
ACD/KOC (pH 5.5): 16432.66
ACD/LogD (pH 7.4): 7.07
ACD/BCF (pH 7.4): 136279.31
ACD/KOC (pH 7.4): 161477.94
Polar Surface Area: 165 Å2
Polarizability: 84.9±0.5 10-24cm3
Surface Tension: 48.7±3.0 dyne/cm
Molar Volume: 645.2±3.0 cm3

Click to predict properties on the Chemicalize site


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