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Search term: 35517185 (Found by CSID)
ChemSpider 2D Image | ulleungamide A | C51H67N7O13

ulleungamide A

  • Molecular FormulaC51H67N7O13
  • Average mass986.117 Da
  • Monoisotopic mass985.479675 Da
  • ChemSpider ID35517185

  • defined stereocentres - 10 of 10 defined stereocentres

More details:

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

(2S)-4-{[(2R)-1-{[(4aS,7S,8R,13R,14S,22R,23aS,26R)-26-Benzyl-8,22-dihydroxy-7,13-dimethyl-5,11,15,18,24,27-hexaoxo-1,2,3,4,4a,5,7,8,9,11,13,14,15,16,17,18,21,22,23,23a,24,25,26,27-tetracosahydro-20H-t ripyrido[2,1-c:2',1'-f:2'',1''-l][1,4,7,10,13,16]oxapentaazacyclononadecin-14-yl]amino}-1-oxo-3-phenyl-2-propanyl](methyl)amino}-2-isopropyl-4-oxobutanoic acid [ACD/IUPAC Name]
(2S)-4-{[(2R)-1-{[(4aS,7S,8R,13R,14S,22R,23aS,26R)-26-Benzyl-8,22-dihydroxy-7,13-dimethyl-5,11,15,18,24,27-hexaoxo-1,2,3,4,4a,5,7,8,9,11,13,14,15,16,17,18,21,22,23,23a,24,25,26,27-tetracosahydro-20H-t ripyrido[2,1-c:2',1'-f:2'',1''-l][1,4,7,10,13,16]oxapentaazacyclononadecin-14-yl]amino}-1-oxo-3-phenyl-2-propanyl](methyl)amino}-2-isopropyl-4-oxobutansäure [German] [ACD/IUPAC Name]
Acide (2S)-4-{[(2R)-1-{[(4aS,7S,8R,13R,14S,22R,23aS,26R)-26-benzyl-8,22-dihydroxy-7,13-diméthyl-5,11,15,18,24,27-hexaoxo-1,2,3,4,4a,5,7,8,9,11,13,14,15,16,17,18,21,22,23,23a,24,25,26,27-tétracosahydro -20H-tripyrido[2,1-c:2',1'-f:2'',1''-l][1,4,7,10,13,16]oxapentaazacyclononadécin-14-yl]amino}-1-oxo-3-phényl-2-propanyl](méthyl)amino}-2-isopropyl-4-oxobutanoïque [French] [ACD/IUPAC Name]
Butanoic acid, 2-(1-methylethyl)-4-[methyl[(1R)-2-oxo-1-(phenylmethyl)-2-[[(4aS,7S,8R,13R,14S,22R,23aS,26R)-1,2,3,4,4a,5,7,8,9,11,13,14,15,16,17,18,21,22,23,23a,24,25,26,27-tetracosahydro-8,22-dihydro xy-7,13-dimethyl-5,11,15,18,24,27-hexaoxo-26-(phenylmethyl)-20H-tripyrido[2,1-c:2',1'-f:2'',1''-l][1,4,7,10,13,16]oxapentaazacyclononadecin-14-yl]amino]ethyl]amino]-4-oxo-, (2S)- [ACD/Index Name]
ulleungamide A

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

Density: 1.4±0.1 g/cm3
Boiling Point: 1309.5±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 206.0±3.0 kJ/mol
Flash Point: 745.7±34.3 °C
Index of Refraction: 1.635
Molar Refractivity: 257.2±0.4 cm3
#H bond acceptors: 20
#H bond donors: 6
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 3
ACD/LogP: -1.83
ACD/LogD (pH 5.5): -0.78
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 4.05
ACD/LogD (pH 7.4): -2.57
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 273 Å2
Polarizability: 102.0±0.5 10-24cm3
Surface Tension: 71.8±5.0 dyne/cm
Molar Volume: 718.5±5.0 cm3

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