ChemSpider 2D Image | 2-{4-[6-(1,6-Dimethylspiro[8,9-dioxabicyclo[3.3.1]non-3-ene-2,2'-oxiran]-7-yl)-4-methyl-2,4-heptadienoyl]-5-hydroxy-1-(5-hydroxy-6-methyltetrahydro-2H-pyran-2-yl)-3-oxo-2,3-dihydro-1H-pyrrol-2-yl}-N-m
ethylpropanamide | C32H44N2O9

2-{4-[6-(1,6-Dimethylspiro[8,9-dioxabicyclo[3.3.1]non-3-ene-2,2'-oxiran]-7-yl)-4-methyl-2,4-heptadienoyl]-5-hydroxy-1-(5-hydroxy-6-methyltetrahydro-2H-pyran-2-yl)-3-oxo-2,3-dihydro-1H-pyrrol-2-yl}-N-m ethylpropanamide

  • Molecular FormulaC32H44N2O9
  • Average mass600.700 Da
  • Monoisotopic mass600.304688 Da
  • ChemSpider ID191238

More details:






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

1H-Pyrrole-2-acetamide, 4-[6-(1,4-dimethylspiro[2,9-dioxabicyclo[3.3.1]non-6-ene-8,2'-oxiran]-3-yl)-4-methyl-1-oxo-2,4-heptadien-1-yl]-2,3-dihydro-5-hydroxy-N,α-dimethyl-3-oxo-1-(tetrahydro-5-hydr oxy-6-methyl-2H-pyran-2-yl)- [ACD/Index Name]
2-{4-[6-(1,6-Dimethylspiro[8,9-dioxabicyclo[3.3.1]non-3-ene-2,2'-oxiran]-7-yl)-4-methyl-2,4-heptadienoyl]-5-hydroxy-1-(5-hydroxy-6-methyltetrahydro-2H-pyran-2-yl)-3-oxo-2,3-dihydro-1H-pyrrol-2-yl}-N-m ethylpropanamide [ACD/IUPAC Name]
2-Pyrrolidineacetamide, 4-[6-(1,4-dimethylspiro[2,9-dioxabicyclo[3.3.1]non-6-ene-8, 2'-oxiran-3-yl)-1-hydroxy-4-methyl-2,4-heptadienylidene]-N, α-dimethyl-3, 5-dioxo-1-(tetrahydro-5-hydroxy-6-methyl-2H-pyran-2-yl)-
3-Pyrroline-2-acetamide, 4-[6- (1,4-dimethylspiro[2, 9-dioxabicyclo[3.3.1]non-6-ene-8,2'-oxiran]-3-yl)-4-methyl-2, 4-heptadienoyl]-3-hydroxy-N, α-dimethyl-5-oxo-1-(tetrahydro-5-hydroxy-6-methyl-2H-pyran-2 -yl)-
Portamycin [Trade name]
Streptolydigin

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

NCI60_002951 [DBID]
NSC3360 [DBID]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.3±0.1 g/cm3
Boiling Point: 762.7±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.9 mmHg at 25°C
Enthalpy of Vaporization: 126.7±6.0 kJ/mol
Flash Point: 415.1±32.9 °C
Index of Refraction: 1.598
Molar Refractivity: 156.7±0.4 cm3
#H bond acceptors: 11
#H bond donors: 3
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 1.90
ACD/LogD (pH 5.5): 0.14
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 9.51
ACD/LogD (pH 7.4): -1.63
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 147 Å2
Polarizability: 62.1±0.5 10-24cm3
Surface Tension: 57.4±5.0 dyne/cm
Molar Volume: 459.1±5.0 cm3

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