Found 6 results

Search term: MF = 'C_{42}H_{57}NO_{10}'
ChemSpider 2D Image | 5-[(2S)-6-Oxo-3,6-dihydro-2H-pyran-2-yl]pentyl 12-oxo-12-{[(7S)-1,2,3,10-tetramethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-7-yl]amino}dodecanoate | C42H57NO10

5-[(2S)-6-Oxo-3,6-dihydro-2H-pyran-2-yl]pentyl 12-oxo-12-{[(7S)-1,2,3,10-tetramethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-7-yl]amino}dodecanoate

  • Molecular FormulaC42H57NO10
  • Average mass735.903 Da
  • Monoisotopic mass735.398254 Da
  • ChemSpider ID58989588

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

12-Oxo-12-{[(7S)-1,2,3,10-tétraméthoxy-9-oxo-5,6,7,9-tétrahydrobenzo[a]heptalén-7-yl]amino}dodécanoate de 5-[(2S)-6-oxo-3,6-dihydro-2H-pyran-2-yl]pentyle [French] [ACD/IUPAC Name]
5-[(2S)-6-Oxo-3,6-dihydro-2H-pyran-2-yl]pentyl 12-oxo-12-{[(7S)-1,2,3,10-tetramethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-7-yl]amino}dodecanoate [ACD/IUPAC Name]
5-[(2S)-6-Oxo-3,6-dihydro-2H-pyran-2-yl]pentyl-12-oxo-12-{[(7S)-1,2,3,10-tetramethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-7-yl]amino}dodecanoat [German] [ACD/IUPAC Name]
Dodecanoic acid, 12-oxo-12-[[(7S)-5,6,7,9-tetrahydro-1,2,3,10-tetramethoxy-9-oxobenzo[a]heptalen-7-yl]amino]-, 5-[(2S)-3,6-dihydro-6-oxo-2H-pyran-2-yl]pentyl ester [ACD/Index 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: 937.3±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 136.5±3.0 kJ/mol
Flash Point: 520.6±34.3 °C
Index of Refraction: 1.561
Molar Refractivity: 200.8±0.4 cm3
#H bond acceptors: 11
#H bond donors: 1
#Freely Rotating Bonds: 23
#Rule of 5 Violations: 3
ACD/LogP: 5.85
ACD/LogD (pH 5.5): 6.12
ACD/BCF (pH 5.5): 26550.12
ACD/KOC (pH 5.5): 51089.49
ACD/LogD (pH 7.4): 6.12
ACD/BCF (pH 7.4): 26550.12
ACD/KOC (pH 7.4): 51089.49
Polar Surface Area: 136 Å2
Polarizability: 79.6±0.5 10-24cm3
Surface Tension: 51.1±5.0 dyne/cm
Molar Volume: 619.7±5.0 cm3

Click to predict properties on the Chemicalize site


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