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Predicted properties of the compound entered.

ID GFIQERTUSVTTRE-HCTDEEJFSA-N
Formula C43H74FNO16
IUPAC Name (2S,3R,4S,6R)-4-(dimethylamino)-2-{[(3R,4S,5S,6R,7R,9S,11R,12R,13S,14R)-14-ethyl-9-fluoro-7,12,13-trihydroxy-4-{[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy}-3,5,7,9,11,13-hexamethyl-2,10-dioxo-1-oxacyclotetradecan-6-yl]oxy}-6-methyloxan-3-yl 1-ethyl butanedioate
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Standard InChI
Standard InChIKey
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Other Names and Identifiers
Standard InChI (User Input) InChI=1S/C43H74FNO16/c1-15-28-43(11,53)35(49)25(6)34(48)40(8,44)21-41(9,52)37(23(4)32(24(5)38(51)58-28)60-31-20-42(10,54-14)36(50)26(7)57-31)61-39-33(27(45(12)13)19-22(3)56-39)59-30(47)18-17-29(46)55-16-2/h22-28,31-33,35-37,39,49-50,52-53H,15-21H2,1-14H3/t22-,23+,24-,25+,26+,27+,28-,31+,32+,33-,35-,36+,37-,39+,40+,41-,42-,43-/m1/s1
Standard InChIKey (User Input) InChIKey=GFIQERTUSVTTRE-HCTDEEJFSA-N
Non-Standard InChI
Non-Standard InChIKey
Other Names and Identifiers [(2S,3R,4S,6R)-4-dimethylamino-2-[[(3R,4S,5S,6R,7R,9S,11R,12R,13S,14R)-14-ethyl-9-fluoro-7,12,13-trihydroxy-4-[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy-3,5,7,9,11,13-hexamethyl-2,10-dioxo-1-oxacyclotetradec-6-yl]oxy]-6-methyloxan-3-yl] ethyl butanedioate | [(2S,3R,4S,6R)-4-dimethylamino-2-[[(3R,4S,5S,6R,7R,9S,11R,12R,13S,14R)-14-ethyl-9-fluoro-7,12,13-trihydroxy-4-[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyl-tetrahydropyran-2-yl]oxy-3,5,7,9,11,13-hexamethyl-2,10-dioxo-1-oxacyclotetradec-6-yl]oxy]-6-methyl-tetrahydropyran-3-yl] ethyl butanedioate | butanedioic acid [(2S,3R,4S,6R)-4-dimethylamino-2-[[(3R,4S,5S,6R,7R,9S,11R,12R,13S,14R)-14-ethyl-9-fluoro-7,12,13-trihydroxy-4-[[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyl-2-tetrahydropyranyl]oxy]-3,5,7,9,11,13-hexamethyl-2,10-dioxo-1-oxacyclotetradec-6-yl]oxy]-6-methyl-3-tetrahydropyranyl] ester ethyl ester | succinic acid [(2S,3R,4S,6R)-4-dimethylamino-2-[[(3R,4S,5S,6R,7R,9S,11R,12R,13S,14R)-14-ethyl-9-fluoro-7,12,13-trihydroxy-4-[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyl-tetrahydropyran-2-yl]oxy-2,10-diketo-3,5,7,9,11,13-hexamethyl-1-oxacyclotetradec-6-yl]oxy]-6-methyl-tetrahydropyran-3-yl] ester ethyl ester | [(2S,3R,4S,6R)-4-dimethylamino-2-[[(3R,4S,5S,6R,7R,9S,11R,12R,13S,14R)-14-ethyl-9-fluoro-7,12,13-trihydroxy-4-[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyl-oxan-2-yl]oxy-3,5,7,9,11,13-hexamethyl-2,10-dioxo-1-oxacyclotetradec-6-yl]oxy]-6-methyl-oxan-3-yl] ethyl butanedioate
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Property Value Unit Accuracy
Absolute Entropy of Ideal Gas at 298.15K and 1bar - - -
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Enthalpy of Formation for Ideal Gas at 298.15K - - -
Liquid Molar Volume at 298.15K - - -
Molecular Weight - - -
Net Standard State Enthalpy of Combustion at 298.15K - - -
Normal Boiling Point - - -
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Refractive Index - - -
Solubility Parameter at 298.15K - - -
Standard State Absolute Entropy at 298.15K and 1bar - - -
Standard State Enthalpy of Formation at 298.15K and 1bar - - -
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Lower Flammability Limit Temperature - - -
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Liquid Density at Normal Boiling Point - - -
Heat of Vaporization at 298.15K - - -
Heat of Vaporization at Normal Boiling Point - - -
Water Solubility - - -
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1H NMR prediction -
13C NMR prediction -
COSY -
HSQC/HMBC prediction -
All prediction -