Found 17 results

Search term: MF = 'C_{43}H_{52}N_{2}O_{11}'
ChemSpider 2D Image | (5S,5aS,8aS,9S)-8-Oxo-9-(3,4,5-trimethoxyphenyl)-5,5a,6,8,8a,9-hexahydrofuro[3',4':6,7]naphtho[2,3-d][1,3]dioxol-5-yl 4-[(4-{[(2S)-2-(4-isobutylphenyl)propanoyl]amino}butyl)amino]-4-oxobutanoate | C43H52N2O11

(5S,5aS,8aS,9S)-8-Oxo-9-(3,4,5-trimethoxyphenyl)-5,5a,6,8,8a,9-hexahydrofuro[3',4':6,7]naphtho[2,3-d][1,3]dioxol-5-yl 4-[(4-{[(2S)-2-(4-isobutylphenyl)propanoyl]amino}butyl)amino]-4-oxobutanoate

  • Molecular FormulaC43H52N2O11
  • Average mass772.880 Da
  • Monoisotopic mass772.357117 Da
  • ChemSpider ID24666075

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

(5S,5aS,8aS,9S)-8-Oxo-9-(3,4,5-trimethoxyphenyl)-5,5a,6,8,8a,9-hexahydrofuro[3',4':6,7]naphtho[2,3-d][1,3]dioxol-5-yl 4-[(4-{[(2S)-2-(4-isobutylphenyl)propanoyl]amino}butyl)amino]-4-oxobutanoate [ACD/IUPAC Name]
(5S,5aS,8aS,9S)-8-Oxo-9-(3,4,5-trimethoxyphenyl)-5,5a,6,8,8a,9-hexahydrofuro[3',4':6,7]naphtho[2,3-d][1,3]dioxol-5-yl-4-[(4-{[(2S)-2-(4-isobutylphenyl)propanoyl]amino}butyl)amino]-4-oxobutanoat [German] [ACD/IUPAC Name]
4-[(4-{[(2S)-2-(4-Isobutylphényl)propanoyl]amino}butyl)amino]-4-oxobutanoate de (5S,5aS,8aS,9S)-8-oxo-9-(3,4,5-triméthoxyphényl)-5,5a,6,8,8a,9-hexahydrofuro[3',4':6,7]naphto[2,3-d][1,3]dioxol-5-yle [French] [ACD/IUPAC Name]
Butanoic acid, 4-[[4-[[(2S)-2-[4-(2-methylpropyl)phenyl]-1-oxopropyl]amino]butyl]amino]-4-oxo-, (5S,5aS,8aS,9S)-5,5a,6,8,8a,9-hexahydro-8-oxo-9-(3,4,5-trimethoxyphenyl)furo[3',4':6,7]naphtho[2,3-d]-1, 3-dioxol-5-yl ester [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 940.5±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 137.0±3.0 kJ/mol
Flash Point: 522.6±34.3 °C
Index of Refraction: 1.600
Molar Refractivity: 205.6±0.4 cm3
#H bond acceptors: 13
#H bond donors: 2
#Freely Rotating Bonds: 18
#Rule of 5 Violations: 2
ACD/LogP: 4.44
ACD/LogD (pH 5.5): 4.58
ACD/BCF (pH 5.5): 1793.12
ACD/KOC (pH 5.5): 7422.17
ACD/LogD (pH 7.4): 4.58
ACD/BCF (pH 7.4): 1793.12
ACD/KOC (pH 7.4): 7422.18
Polar Surface Area: 157 Å2
Polarizability: 81.5±0.5 10-24cm3
Surface Tension: 58.2±5.0 dyne/cm
Molar Volume: 600.7±5.0 cm3

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