ChemSpider 2D Image | (2E,10E,12E,16E,18E)-17-Ethyl-6-hydroxy-9-(hydroxymethyl)-3,5,7,11,15-pentamethyl-19-(3-methyl-6-oxo-3,6-dihydro-2H-pyran-2-yl)-8-oxo-2,10,12,16,18-nonadecapentaenoic acid | C33H48O7

(2E,10E,12E,16E,18E)-17-Ethyl-6-hydroxy-9-(hydroxymethyl)-3,5,7,11,15-pentamethyl-19-(3-methyl-6-oxo-3,6-dihydro-2H-pyran-2-yl)-8-oxo-2,10,12,16,18-nonadecapentaenoic acid

  • Molecular FormulaC33H48O7
  • Average mass556.730 Da
  • Monoisotopic mass556.340027 Da
  • ChemSpider ID4585551

  • Double-bond stereo - Double-bond stereo

More details:

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

(2E,10E,12E,16E,18E)-17-Ethyl-6-hydroxy-9-(hydroxymethyl)-3,5,7,11,15-pentamethyl-19-(3-methyl-6-oxo-3,6-dihydro-2H-pyran-2-yl)-8-oxo-2,10,12,16,18-nonadecapentaenoic acid [ACD/IUPAC Name]
(2E,10E,12E,16E,18E)-17-Ethyl-6-hydroxy-9-(hydroxymethyl)-3,5,7,11,15-pentamethyl-19-(3-methyl-6-oxo-3,6-dihydro-2H-pyran-2-yl)-8-oxo-2,10,12,16,18-nonadecapentaensäure [German] [ACD/IUPAC Name]
2,10,12,16,18-Nonadecapentaenoic acid, 19-(3,6-dihydro-3-methyl-6-oxo-2H-pyran-2-yl)-17-ethyl-6-hydroxy-9-(hydroxymethyl)-3,5,7,11,15-pentamethyl-8-oxo- [ACD/Index Name]
2,10,12,16,18-Nonadecapentaenoic acid, 19-(3,6-dihydro-3-methyl-6-oxo-2H-pyran-2-yl)-17-ethyl-6-hydroxy-9-(hydroxymethyl)-3,5,7,11,15-pentamethyl-8-oxo-, (2E,10E,12E,16E,18E)- [ACD/Index Name]
Acide (2E,10E,12E,16E,18E)-17-éthyl-6-hydroxy-9-(hydroxyméthyl)-3,5,7,11,15-pentaméthyl-19-(3-méthyl-6-oxo-3,6-dihydro-2H-pyran-2-yl)-8-oxo-2,10,12,16,18-nonadécapentaénoïque [French] [ACD/IUPAC Name]
2,10,12,16,18-Nonadecapentaenoic acid, 19-(3, 6-dihydro-3-methyl-6-oxo-2H-pyran-2-yl)-17-ethyl-6-hydroxy-9-(hydr oxymethyl)-3,5,7,11,15-pentamethyl-8-oxo-
92090-94-3 [RN]
Kazusamycin A
LEPTOMYCIN B, 30-HYDROXY

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

NSC364373 [DBID]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 761.5±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.8 mmHg at 25°C
Enthalpy of Vaporization: 126.5±6.0 kJ/mol
Flash Point: 236.7±26.4 °C
Index of Refraction: 1.552
Molar Refractivity: 160.3±0.3 cm3
#H bond acceptors: 7
#H bond donors: 3
#Freely Rotating Bonds: 16
#Rule of 5 Violations: 2
ACD/LogP: 5.70
ACD/LogD (pH 5.5): 3.92
ACD/BCF (pH 5.5): 413.69
ACD/KOC (pH 5.5): 1792.24
ACD/LogD (pH 7.4): 2.18
ACD/BCF (pH 7.4): 7.38
ACD/KOC (pH 7.4): 31.95
Polar Surface Area: 121 Å2
Polarizability: 63.5±0.5 10-24cm3
Surface Tension: 46.4±3.0 dyne/cm
Molar Volume: 501.8±3.0 cm3

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