ChemSpider 2D Image | 3-Hydroxy-N-(3-{8-[(4E)-6-hydroxy-3,5-dimethyl-4-hepten-1-yl]-3-methyl-1,7-dioxaspiro[5.5]undec-2-yl}propyl)-2-methyl-4-[({3-methyl-6-[(3Z)-2-oxo-3-penten-1-yl]tetrahydro-2H-pyran-2-yl}acetyl)amino]bu tanamide | C40H68N2O8

3-Hydroxy-N-(3-{8-[(4E)-6-hydroxy-3,5-dimethyl-4-hepten-1-yl]-3-methyl-1,7-dioxaspiro[5.5]undec-2-yl}propyl)-2-methyl-4-[({3-methyl-6-[(3Z)-2-oxo-3-penten-1-yl]tetrahydro-2H-pyran-2-yl}acetyl)amino]bu tanamide

  • Molecular FormulaC40H68N2O8
  • Average mass704.977 Da
  • Monoisotopic mass704.497559 Da
  • ChemSpider ID4790393

  • Double-bond stereo - Double-bond stereo

More details:

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

2H-Pyran-2-acetamide, tetrahydro-N-[2-hydroxy-4-[[3-[8-[(4E)-6-hydroxy-3,5-dimethyl-4-hepten-1-yl]-3-methyl-1,7-dioxaspiro[5.5]undec-2-yl]propyl]amino]-3-methyl-4-oxobutyl]-3-methyl-6-[(3Z)-2-oxo-3-pe nten-1-yl]- [ACD/Index Name]
3-Hydroxy-N-(3-{8-[(4E)-6-hydroxy-3,5-dimethyl-4-hepten-1-yl]-3-methyl-1,7-dioxaspiro[5.5]undec-2-yl}propyl)-2-methyl-4-[({3-methyl-6-[(3Z)-2-oxo-3-penten-1-yl]tetrahydro-2H-pyran-2-yl}acetyl)amino]bu tanamid [German] [ACD/IUPAC Name]
3-Hydroxy-N-(3-{8-[(4E)-6-hydroxy-3,5-dimethyl-4-hepten-1-yl]-3-methyl-1,7-dioxaspiro[5.5]undec-2-yl}propyl)-2-methyl-4-[({3-methyl-6-[(3Z)-2-oxo-3-penten-1-yl]tetrahydro-2H-pyran-2-yl}acetyl)amino]bu tanamide [ACD/IUPAC Name]
3-Hydroxy-N-(3-{8-[(4E)-6-hydroxy-3,5-diméthyl-4-heptén-1-yl]-3-méthyl-1,7-dioxaspiro[5.5]undéc-2-yl}propyl)-2-méthyl-4-[(2-{3-méthyl-6-[(3Z)-2-oxo-3-pentén-1-yl]tétrahydro-2H-pyran-2-yl}acétyl)amino] butanamide [French] [ACD/IUPAC Name]
2,17,28-Trioxa-13,26-diazatricyclo(14.7.4.16,9)octacosane-14,25-dione, 6-hydroxy-18-(6-hydroxy-3,5-dimethyl-4-heptenyl)-8,15,23-trimethyl-3-(2-oxo-3-pentenyl)-
2H-Pyran-2-acetamide, tetrahydro-N-(2-hydroxy-4-((3-(8-(6-hydroxy-3,5-dimethyl-4-heptenyl)-3-methyl-1,7-dioxaspiro(5.5)undec-2-yl)propyl)amino)-3-methyl-4-oxobutyl)-3-methyl-6-(2-oxo-3-pentenyl)-
3-HYDROXY-N-(3-{8-[(4E)-6-HYDROXY-3,5-DIMETHYLHEPT-4-EN-1-YL]-3-METHYL-1,7-DIOXASPIRO[5.5]UNDECAN-2-YL}PROPYL)-2-METHYL-4-(2-{3-METHYL-6-[(3Z)-2-OXOPENT-3-EN-1-YL]OXAN-2-YL}ACETAMIDO)BUTANAMIDE

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

Density: 1.1±0.1 g/cm3
Boiling Point: 875.7±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 144.6±6.0 kJ/mol
Flash Point: 483.4±34.3 °C
Index of Refraction: 1.532
Molar Refractivity: 196.5±0.4 cm3
#H bond acceptors: 10
#H bond donors: 4
#Freely Rotating Bonds: 18
#Rule of 5 Violations: 2
ACD/LogP: 3.52
ACD/LogD (pH 5.5): 4.76
ACD/BCF (pH 5.5): 2459.46
ACD/KOC (pH 5.5): 9305.91
ACD/LogD (pH 7.4): 4.76
ACD/BCF (pH 7.4): 2459.46
ACD/KOC (pH 7.4): 9305.91
Polar Surface Area: 143 Å2
Polarizability: 77.9±0.5 10-24cm3
Surface Tension: 46.9±5.0 dyne/cm
Molar Volume: 634.0±5.0 cm3

Click to predict properties on the Chemicalize site


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