ChemSpider 2D Image | (2E,4E,6E,8E,12E,14R,16S,18E,20E,22E,24E,26E,38E,48E)-56-Amino-29-[(6-deoxyhexopyranosyl)oxy]-15,17,33,35,37,41,43,45,47,51,53-undecahydroxy-N-(2-hydroxy-5-oxo-1-cyclopenten-1-yl)-14,16,30-trimethyl-3 1-oxo-2,4,6,8,12,18,20,22,24,26,38,48-hexapentacontadodecaenamide | C70H108N2O20

(2E,4E,6E,8E,12E,14R,16S,18E,20E,22E,24E,26E,38E,48E)-56-Amino-29-[(6-deoxyhexopyranosyl)oxy]-15,17,33,35,37,41,43,45,47,51,53-undecahydroxy-N-(2-hydroxy-5-oxo-1-cyclopenten-1-yl)-14,16,30-trimethyl-3 1-oxo-2,4,6,8,12,18,20,22,24,26,38,48-hexapentacontadodecaenamide

  • Molecular FormulaC70H108N2O20
  • Average mass1297.608 Da
  • Monoisotopic mass1296.749512 Da
  • ChemSpider ID78445497

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 2 of 20 defined stereocentres

More details:

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

(2E,4E,6E,8E,12E,14R,16S,18E,20E,22E,24E,26E,38E,48E)-56-Amino-29-[(6-deoxyhexopyranosyl)oxy]-15,17,33,35,37,41,43,45,47,51,53-undecahydroxy-N-(2-hydroxy-5-oxo-1-cyclopenten-1-yl)-14,16,30-trimethyl-3 1-oxo-2,4,6,8,12,18,20,22,24,26,38,48-hexapentacontadodecaenamide [ACD/IUPAC Name]
(2E,4E,6E,8E,12E,14R,16S,18E,20E,22E,24E,26E,38E,48E)-56-Amino-29-[(6-desoxyhexopyranosyl)oxy]-15,17,33,35,37,41,43,45,47,51,53-undecahydroxy-N-(2-hydroxy-5-oxo-1-cyclopenten-1-yl)-14,16,30-trimethyl- 31-oxo-2,4,6,8,12,18,20,22,24,26,38,48-hexapentacontadodecaenamid [German] [ACD/IUPAC Name]
(2E,4E,6E,8E,12E,14R,16S,18E,20E,22E,24E,26E,38E,48E)-56-Amino-29-[(6-désoxyhexopyranosyl)oxy]-15,17,33,35,37,41,43,45,47,51,53-undécahydroxy-N-(2-hydroxy-5-oxo-1-cyclopentén-1-yl)-14,16,30-triméthyl- 31-oxo-2,4,6,8,12,18,20,22,24,26,38,48-hexapentacontadodécaénamide [French] [ACD/IUPAC Name]
2,4,6,8,12,18,20,22,24,26,38,48-Hexapentacontadodecaenamide, 56-amino-29-[(6-deoxyhexopyranosyl)oxy]-15,17,33,35,37,41,43,45,47,51,53-undecahydroxy-N-(2-hydroxy-5-oxo-1-cyclopenten-1-yl)-14,16,30-trim ethyl-31-oxo-, (2E,4E,6E,8E,12E,14R,16S,18E,20E,22E,24E,26E,38E,48E)- [ACD/Index Name]
ECO-02301

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

Density: 1.3±0.1 g/cm3
Boiling Point: 1377.7±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 234.8±6.0 kJ/mol
Flash Point: 787.0±34.3 °C
Index of Refraction: 1.615
Molar Refractivity: 354.2±0.4 cm3
#H bond acceptors: 22
#H bond donors: 18
#Freely Rotating Bonds: 46
#Rule of 5 Violations: 3
ACD/LogP: 0.39
ACD/LogD (pH 5.5): -2.57
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.57
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 411 Å2
Polarizability: 140.4±0.5 10-24cm3
Surface Tension: 69.9±5.0 dyne/cm
Molar Volume: 1015.3±5.0 cm3

Click to predict properties on the Chemicalize site


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