ChemSpider 2D Image | marinomycin A | C58H76O14

marinomycin A

  • Molecular FormulaC58H76O14
  • Average mass997.216 Da
  • Monoisotopic mass996.523499 Da
  • ChemSpider ID10481141

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 10 of 10 defined stereocentres

More details:

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(7S,9S,11E,13S,15S,17E,19E,21E,23E,31S,33S,35E,37S,39S,41E,43E,45E,47E)-4,9,13,15,28,33,37,39-Octahydroxy-7,31-bis[(2R)-2-hydroxypropyl]-17,41-dimethyl-7,8,9,10,13,14,15,16,31,32,33,34,37,38,39,40-hex adecahydro-5H,29H-dibenzo[c,y][1,23]dioxacyclotetratetracontin-5,29-dion [German] [ACD/IUPAC Name]
(7S,9S,11E,13S,15S,17E,19E,21E,23E,31S,33S,35E,37S,39S,41E,43E,45E,47E)-4,9,13,15,28,33,37,39-Octahydroxy-7,31-bis[(2R)-2-hydroxypropyl]-17,41-dimethyl-7,8,9,10,13,14,15,16,31,32,33,34,37,38,39,40-hex adecahydro-5H,29H-dibenzo[c,y][1,23]dioxacyclotetratetracontine-5,29-dione [ACD/IUPAC Name]
(7S,9S,11E,13S,15S,17E,19E,21E,23E,31S,33S,35E,37S,39S,41E,43E,45E,47E)-4,9,13,15,28,33,37,39-Octahydroxy-7,31-bis[(2R)-2-hydroxypropyl]-17,41-diméthyl-7,8,9,10,13,14,15,16,31,32,33,34,37,38,39,40-hex adécahydro-5H,29H-dibenzo[c,y][1,23]dioxacyclotétratétracontine-5,29-dione [French] [ACD/IUPAC Name]
5H,29H-Dibenzo[c,y][1,23]dioxacyclotetratetracontin-5,29-dione, 7,8,9,10,13,14,15,16,31,32,33,34,37,38,39,40-hexadecahydro-4,9,13,15,28,33,37,39-octahydroxy-7,31-bis[(2R)-2-hydroxypropyl]-17,41-dimeth yl-, (7S,9S,11E,13S,15S,17E,19E,21E,23E,31S,33S,35E,37S,39S,41E,43E,45E,47E)- [ACD/Index Name]
marinomycin A

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

Density: 1.1±0.1 g/cm3
Boiling Point: 1179.9±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 183.0±3.0 kJ/mol
Flash Point: 326.2±27.8 °C
Index of Refraction: 1.553
Molar Refractivity: 277.6±0.3 cm3
#H bond acceptors: 14
#H bond donors: 10
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 4
ACD/LogP: 6.71
ACD/LogD (pH 5.5): 6.86
ACD/BCF (pH 5.5): 96487.56
ACD/KOC (pH 5.5): 128399.81
ACD/LogD (pH 7.4): 6.67
ACD/BCF (pH 7.4): 62357.47
ACD/KOC (pH 7.4): 82981.55
Polar Surface Area: 255 Å2
Polarizability: 110.0±0.5 10-24cm3
Surface Tension: 45.7±3.0 dyne/cm
Molar Volume: 866.8±3.0 cm3

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