5-ethyl-15,20,25,30,35-pentakis(hydroxymethyl)-10-(2-methylpropyl)-2,4,7,9,12,14,17,19,22,24,27,29,32,34-tetradecaoxaoctacyclo[31.2.2.23,6.28,11.213,16.218,21.223,26.228,31]nonatetracontane-36,37,38,39,40,41,42,43,44,45,46,47,48,49-tetradecol;5-ethyl-15,20,25,30,35-pentakis(hydroxymethyl)-10-[(4-propan-2-ylpiperazin-1-yl)methyl]-2,4,7,9,12,14,17,19,22,24,27,29,32,34-tetradecaoxaoctacyclo[31.2.2.23,6.28,11.213,16.218,21.223,26.228,31]nonatetracontane-36,37,38,39,40,41,42,43,44,45,46,47,48,49-tetradecol

C96H164N2O66 — CID 158838095

IUPAC5-ethyl-15,20,25,30,35-pentakis(hydroxymethyl)-10-(2-methylpropyl)-2,4,7,9,12,14,17,19,22,24,27,29,32,34-tetradecaoxaoctacyclo[31.2.2.23,6.28,11.213,16.218,21.223,26.228,31]nonatetracontane-36,37,38,39,40,41,42,43,44,45,46,47,48,49-tetradecol;5-ethyl-15,20,25,30,35-pentakis(hydroxymethyl)-10-[(4-propan-2-ylpiperazin-1-yl)methyl]-2,4,7,9,12,14,17,19,22,24,27,29,32,34-tetradecaoxaoctacyclo[31.2.2.23,6.28,11.213,16.218,21.223,26.228,31]nonatetracontane-36,37,38,39,40,41,42,43,44,45,46,47,48,49-tetradecol
SMILESCCC1OC2OC3C(CO)OC(OC4C(CO)OC(OC5C(CO)OC(OC6C(CO)OC(OC7C(CO)OC(OC8C(CC(C)C)OC(OC1C(O)C2O)C(O)C8O)C(O)C7O)C(O)C6O)C(O)C5O)C(O)C4O)C(O)C3O.CCC1OC2OC3C(CO)OC(OC4C(CO)OC(OC5C(CO)OC(OC6C(CO)OC(OC7C(CO)OC(OC8C(CN9CCN(C(C)C)CC9)OC(OC1C(O)C2O)C(O)C8O)C(O)C7O)C(O)C6O)C(O)C5O)C(O)C4O)C(O)C3O
InChIInChI=1S/C50H86N2O33.C46H78O33/c1-4-16-37-23(58)30(65)44(72-16)81-39-18(10-53)75-47(33(68)26(39)61)83-41-20(12-55)77-49(35(70)28(41)63)85-43-22(14-57)78-50(36(71)29(43)64)84-42-21(13-56)76-48(34(69)27(42)62)82-40-19(11-54)74-46(32(67)25(40)60)80-38-17(73-45(79-37)31(66)24(38)59)9-51-5-7-52(8-6-51)15(2)3;1-4-12-33-19(52)26(59)40(66-12)75-35-14(6-47)69-43(29(62)22(35)55)77-37-16(8-49)71-45(31(64)24(37)57)79-39-18(10-51)72-46(32(65)25(39)58)78-38-17(9-50)70-44(30(63)23(38)56)76-36-15(7-48)68-42(28(61)21(36)54)74-34-13(5-11(2)3)67-41(73-33)27(60)20(34)53/h15-50,53-71H,4-14H2,1-3H3;11-65H,4-10H2,1-3H3
InChIKeyIXWSPAUEYUIZHU-UHFFFAOYSA-N
MW2402.32 g/mol
LogP-24.54
Rot. Bonds17

About 5-ethyl-15,20,25,30,35-pentakis(hydroxymethyl)-10-(2-methylpropyl)-2,4,7,9,12,14,17,19,22,24,27,29,32,34-tetradecaoxaoctacyclo[31.2.2.23,6.28,11.213,16.218,21.223,26.228,31]nonatetracontane-36,37,38,39,40,41,42,43,44,45,46,47,48,49-tetradecol;5-ethyl-15,20,25,30,35-pentakis(hydroxymethyl)-10-[(4-propan-2-ylpiperazin-1-yl)methyl]-2,4,7,9,12,14,17,19,22,24,27,29,32,34-tetradecaoxaoctacyclo[31.2.2.23,6.28,11.213,16.218,21.223,26.228,31]nonatetracontane-36,37,38,39,40,41,42,43,44,45,46,47,48,49-tetradecol

5-ethyl-15,20,25,30,35-pentakis(hydroxymethyl)-10-(2-methylpropyl)-2,4,7,9,12,14,17,19,22,24,27,29,32,34-tetradecaoxaoctacyclo[31.2.2.23,6.28,11.213,16.218,21.223,26.228,31]nonatetracontane-36,37,38,39,40,41,42,43,44,45,46,47,48,49-tetradecol;5-ethyl-15,20,25,30,35-pentakis(hydroxymethyl)-10-[(4-propan-2-ylpiperazin-1-yl)methyl]-2,4,7,9,12,14,17,19,22,24,27,29,32,34-tetradecaoxaoctacyclo[31.2.2.23,6.28,11.213,16.218,21.223,26.228,31]nonatetracontane-36,37,38,39,40,41,42,43,44,45,46,47,48,49-tetradecol (PubChem CID 158838095) has the molecular formula C96H164N2O66 and a molecular weight of 2402.32 g/mol. Its IUPAC name is 5-ethyl-15,20,25,30,35-pentakis(hydroxymethyl)-10-(2-methylpropyl)-2,4,7,9,12,14,17,19,22,24,27,29,32,34-tetradecaoxaoctacyclo[31.2.2.23,6.28,11.213,16.218,21.223,26.228,31]nonatetracontane-36,37,38,39,40,41,42,43,44,45,46,47,48,49-tetradecol;5-ethyl-15,20,25,30,35-pentakis(hydroxymethyl)-10-[(4-propan-2-ylpiperazin-1-yl)methyl]-2,4,7,9,12,14,17,19,22,24,27,29,32,34-tetradecaoxaoctacyclo[31.2.2.23,6.28,11.213,16.218,21.223,26.228,31]nonatetracontane-36,37,38,39,40,41,42,43,44,45,46,47,48,49-tetradecol.

Molecular Properties

Compound Name5-ethyl-15,20,25,30,35-pentakis(hydroxymethyl)-10-(2-methylpropyl)-2,4,7,9,12,14,17,19,22,24,27,29,32,34-tetradecaoxaoctacyclo[31.2.2.23,6.28,11.213,16.218,21.223,26.228,31]nonatetracontane-36,37,38,39,40,41,42,43,44,45,46,47,48,49-tetradecol;5-ethyl-15,20,25,30,35-pentakis(hydroxymethyl)-10-[(4-propan-2-ylpiperazin-1-yl)methyl]-2,4,7,9,12,14,17,19,22,24,27,29,32,34-tetradecaoxaoctacyclo[31.2.2.23,6.28,11.213,16.218,21.223,26.228,31]nonatetracontane-36,37,38,39,40,41,42,43,44,45,46,47,48,49-tetradecol
PubChem CID158838095
Molecular FormulaC96H164N2O66
Molecular Weight2402.32 g/mol
Exact Mass2400.95
IUPAC Name5-ethyl-15,20,25,30,35-pentakis(hydroxymethyl)-10-(2-methylpropyl)-2,4,7,9,12,14,17,19,22,24,27,29,32,34-tetradecaoxaoctacyclo[31.2.2.23,6.28,11.213,16.218,21.223,26.228,31]nonatetracontane-36,37,38,39,40,41,42,43,44,45,46,47,48,49-tetradecol;5-ethyl-15,20,25,30,35-pentakis(hydroxymethyl)-10-[(4-propan-2-ylpiperazin-1-yl)methyl]-2,4,7,9,12,14,17,19,22,24,27,29,32,34-tetradecaoxaoctacyclo[31.2.2.23,6.28,11.213,16.218,21.223,26.228,31]nonatetracontane-36,37,38,39,40,41,42,43,44,45,46,47,48,49-tetradecol
SMILESCCC1OC2OC3C(CO)OC(OC4C(CO)OC(OC5C(CO)OC(OC6C(CO)OC(OC7C(CO)OC(OC8C(CC(C)C)OC(OC1C(O)C2O)C(O)C8O)C(O)C7O)C(O)C6O)C(O)C5O)C(O)C4O)C(O)C3O.CCC1OC2OC3C(CO)OC(OC4C(CO)OC(OC5C(CO)OC(OC6C(CO)OC(OC7C(CO)OC(OC8C(CN9CCN(C(C)C)CC9)OC(OC1C(O)C2O)C(O)C8O)C(O)C7O)C(O)C6O)C(O)C5O)C(O)C4O)C(O)C3O
InChIInChI=1S/C50H86N2O33.C46H78O33/c1-4-16-37-23(58)30(65)44(72-16)81-39-18(10-53)75-47(33(68)26(39)61)83-41-20(12-55)77-49(35(70)28(41)63)85-43-22(14-57)78-50(36(71)29(43)64)84-42-21(13-56)76-48(34(69)27(42)62)82-40-19(11-54)74-46(32(67)25(40)60)80-38-17(73-45(79-37)31(66)24(38)59)9-51-5-7-52(8-6-51)15(2)3;1-4-12-33-19(52)26(59)40(66-12)75-35-14(6-47)69-43(29(62)22(35)55)77-37-16(8-49)71-45(31(64)24(37)57)79-39-18(10-51)72-46(32(65)25(39)58)78-38-17(9-50)70-44(30(63)23(38)56)76-36-15(7-48)68-42(28(61)21(36)54)74-34-13(5-11(2)3)67-41(73-33)27(60)20(34)53/h15-50,53-71H,4-14H2,1-3H3;11-65H,4-10H2,1-3H3
InChIKeyIXWSPAUEYUIZHU-UHFFFAOYSA-N
XLogP-24.54
TPSA1033.66 Ų
H-Bond Donors38
H-Bond Acceptors68
Rotatable Bonds17
Heavy Atoms164
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002402.32
LogP ≤ 5-24.54
H-Bond Donors ≤ 538
H-Bond Acceptors ≤ 1068

Analyze 5-ethyl-15,20,25,30,35-pentakis(hydroxymethyl)-10-(2-methylpropyl)-2,4,7,9,12,14,17,19,22,24,27,29,32,34-tetradecaoxaoctacyclo[31.2.2.23,6.28,11.213,16.218,21.223,26.228,31]nonatetracontane-36,37,38,39,40,41,42,43,44,45,46,47,48,49-tetradecol;5-ethyl-15,20,25,30,35-pentakis(hydroxymethyl)-10-[(4-propan-2-ylpiperazin-1-yl)methyl]-2,4,7,9,12,14,17,19,22,24,27,29,32,34-tetradecaoxaoctacyclo[31.2.2.23,6.28,11.213,16.218,21.223,26.228,31]nonatetracontane-36,37,38,39,40,41,42,43,44,45,46,47,48,49-tetradecol with MolForge

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Related Compounds

40-ethyl-10,15,20,25,30,35-hexakis(hydroxymethyl)-5-(2-methylpropyl)-2,4,7,9,12,14,17,19,22,24,27,29,32,34,37,39-hexadecaoxanonacyclo[36.2.2.23,6.28,11.213,16.218,21.223,26.228,31.233,36]hexapentacontane-41,42,43,44,45,46,47,48,49,50,51,52,53,54,56-pentadecol;40-ethyl-10,15,20,25,30,35-hexakis(hydroxymethyl)-5-[(4-propan-2-ylpiperazin-1-yl)methyl]-2,4,7,9,12,14,17,19,22,24,27,29,32,34,37,39-hexadecaoxanonacyclo[36.2.2.23,6.28,11.213,16.218,21.223,26.228,31.233,36]hexapentacontane-41,42,43,44,45,46,47,48,49,50,51,52,53,54,56-pentadecol;35-ethyl-10,15,20,25,30-pentakis(hydroxymethyl)-5-[(4-propan-2-ylpiperazin-1-yl)methyl]-2,4,7,9,12,14,17,19,22,24,27,29,32,34-tetradecaoxaoctacyclo[31.2.2.23,6.28,11.213,16.218,21.223,26.228,31]nonatetracontane-36,37,38,39,40,41,42,43,44,45,46,47,49-tridecol
CID 167661196
(1S,3R,5R,6S,8R,10R,11S,13R,15R,16S,18R,20R,21S,23R,25R,26S,28R,30R,31S,33R,35R,36R,37R,38R,39R,40R,41R,42R,43R,44R,45R,46R,47R,48R,49R)-5,10,15,20,25,30,35-heptakis(pyrrolidin-1-ylmethyl)-2,4,7,9,12,14,17,19,22,24,27,29,32,34-tetradecaoxaoctacyclo[31.2.2.23,6.28,11.213,16.218,21.223,26.228,31]nonatetracontane-36,37,38,39,40,41,42,43,44,45,46,47,48,49-tetradecol
CID 102265968
(1S,3R,6S,8R,11S,13R,16S,18R,21S,23R,26S,28R,31S,33R,36S,38S,41R,43R,45R,47R,49R,51R,54S,55R)-5,10,15,20,25,30,35,40-octaethyl-2,4,7,9,12,14,17,19,22,24,27,29,32,34,37,39-hexadecaoxanonacyclo[36.2.2.23,6.28,11.213,16.218,21.223,26.228,31.233,36]hexapentacontane-41,42,43,44,45,46,47,48,49,50,51,52,53,54,55,56-hexadecol
CID 158844386
(1S,3R,6S,8R,11S,13R,16S,18R,21S,23R,26S,28R,31S,33R,36S,38R,41S,43R,47S,49S,51S,52R,55S,57S,59S,61S,63S)-5,10,15,20,25,30,35,40,45-nonakis(hydroxymethyl)-2,4,7,9,12,14,17,19,22,24,27,29,32,34,37,39,42,44-octadecaoxadecacyclo[41.2.2.23,6.28,11.213,16.218,21.223,26.228,31.233,36.238,41]trihexacontane-46,47,48,49,50,51,52,53,54,55,56,57,58,59,60,61,62,63-octadecol
CID 91034688
(1S,3R,5R,6S,8R,10R,11S,13R,15R,16S,18R,20R,21S,23R,25R,26S,28R,30S,31S,33R,35R,36S,37S,38S,39S,40R,41R,42R,43R,44R,45R,46S,47S,48S,49S)-5,10,15,20,25,30,35-heptakis(hydroxymethyl)-2,4,7,9,12,14,17,19,22,24,27,29,32,34-tetradecaoxaoctacyclo[31.2.2.23,6.28,11.213,16.218,21.223,26.228,31]nonatetracontane-36,37,38,39,40,41,42,43,44,45,46,47,48,49-tetradecol
CID 21457209
(5R,10R,11S,15R,18S,20R,21S,25R,30R,35R,36R,37R,38R,41R,42R,44R,45R,46R,48R)-5,10,15,20,25,30,35-heptakis(hydroxymethyl)-2,4,7,9,12,14,17,19,22,24,27,29,32,34-tetradecaoxaoctacyclo[31.2.2.23,6.28,11.213,16.218,21.223,26.228,31]nonatetracontane-36,37,38,39,40,41,42,43,44,45,46,47,48,49-tetradecol
CID 130342844
(1S,3R,5R,6S,8R,10R,11S,13R,15R,16S,18R,20R,21S,23R,25R,26S,28R,30R,31S,33R,35R,36R,37R,38R,39R,40R,41R,42R,43R,44S,45S,46S,47S,48R,49R)-5,10,15,20,25,30,35-heptakis(hydroxymethyl)-2,4,7,9,12,14,17,19,22,24,27,29,32,34-tetradecaoxaoctacyclo[31.2.2.23,6.28,11.213,16.218,21.223,26.228,31]nonatetracontane-36,37,38,39,40,41,42,43,44,45,46,47,48,49-tetradecol
CID 10772589
(1S,3S,5S,6R,8S,10S,11R,13S,15S,16R,18S,20S,21R,23S,25S,26R,28S,30S,31R,32S,33S,34S,35S,36R,37S,38R,39S,40R,41S,42R)-5,10,15,20,25,30-hexakis(hydroxymethyl)-2,4,7,9,12,14,17,19,22,24,27,29-dodecaoxaheptacyclo[26.2.2.23,6.28,11.213,16.218,21.223,26]dotetracontane-31,32,33,34,35,36,37,38,39,40,41,42-dodecol
CID 124918812
(3S,6R,8S,11R,13S,16R,18S,21R,23S,26R,28S,31R,33R,35R,37R,39R,41R)-5,10,15,20,25,30-hexakis(hydroxymethyl)-2,4,7,9,12,14,17,19,22,24,27,29-dodecaoxaheptacyclo[26.2.2.23,6.28,11.213,16.218,21.223,26]dotetracontane-31,32,33,34,35,36,37,38,39,40,41,42-dodecol
CID 58663344
(1R,5R,6S,10R,11R,15R,16S,20R,21R,25R,26S,30R,31R,35R,36S,40R,41R,42R,43R,44S,45R,46R,47R,48S,49R,50R,51R,52S,53R,54R,55R,56S)-5,10,15,20,25,30,35,40-octakis(hydroxymethyl)-2,4,7,9,12,14,17,19,22,24,27,29,32,34,37,39-hexadecaoxanonacyclo[36.2.2.23,6.28,11.213,16.218,21.223,26.228,31.233,36]hexapentacontane-41,42,43,44,45,46,47,48,49,50,51,52,53,54,55,56-hexadecol
CID 130342841
(5R,10R,11S,15R,16S,20R,25R,26S,30R,35R,36R,37R,38R,39R,40R,41R,42R,43R,44R,45R,46R,47R,48R,49R)-5,10,15,20,25,30,35-heptakis(hydroxymethyl)-2,4,7,9,12,14,17,19,22,24,27,29,32,34-tetradecaoxaoctacyclo[31.2.2.23,6.28,11.213,16.218,21.223,26.228,31]nonatetracontane-36,37,38,39,40,41,42,43,44,45,46,47,48,49-tetradecol
CID 161459387
(5R,10R,11S,15R,16S,20R,21S,25R,26S,30R,31S,35R,40R,41R,42R,43R,44R,45R,46R,47R,48R,49R,50R,51R,52R,53R,54R,55R)-5,10,15,20,25,30,35,40-octakis(hydroxymethyl)-2,4,7,9,12,14,17,19,22,24,27,29,32,34,37,39-hexadecaoxanonacyclo[36.2.2.23,6.28,11.213,16.218,21.223,26.228,31.233,36]hexapentacontane-41,42,43,44,45,46,47,48,49,50,51,52,53,54,55,56-hexadecol
CID 121295384

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-15,20,25,30,35-pentakis(hydroxymethyl)-10-(2-methylpropyl)-2,4,7,9,12,14,17,19,22,24,27,29,32,34-tetradecaoxaoctacyclo[31.2.2.23,6.28,11.213,16.218,21.223,26.228,31]nonatetracontane-36,37,38,39,40,41,42,43,44,45,46,47,48,49-tetradecol;5-ethyl-15,20,25,30,35-pentakis(hydroxymethyl)-10-[(4-propan-2-ylpiperazin-1-yl)methyl]-2,4,7,9,12,14,17,19,22,24,27,29,32,34-tetradecaoxaoctacyclo[31.2.2.23,6.28,11.213,16.218,21.223,26.228,31]nonatetracontane-36,37,38,39,40,41,42,43,44,45,46,47,48,49-tetradecol?
The IUPAC name of 5-ethyl-15,20,25,30,35-pentakis(hydroxymethyl)-10-(2-methylpropyl)-2,4,7,9,12,14,17,19,22,24,27,29,32,34-tetradecaoxaoctacyclo[31.2.2.23,6.28,11.213,16.218,21.223,26.228,31]nonatetracontane-36,37,38,39,40,41,42,43,44,45,46,47,48,49-tetradecol;5-ethyl-15,20,25,30,35-pentakis(hydroxymethyl)-10-[(4-propan-2-ylpiperazin-1-yl)methyl]-2,4,7,9,12,14,17,19,22,24,27,29,32,34-tetradecaoxaoctacyclo[31.2.2.23,6.28,11.213,16.218,21.223,26.228,31]nonatetracontane-36,37,38,39,40,41,42,43,44,45,46,47,48,49-tetradecol (CID 158838095) is 5-ethyl-15,20,25,30,35-pentakis(hydroxymethyl)-10-(2-methylpropyl)-2,4,7,9,12,14,17,19,22,24,27,29,32,34-tetradecaoxaoctacyclo[31.2.2.23,6.28,11.213,16.218,21.223,26.228,31]nonatetracontane-36,37,38,39,40,41,42,43,44,45,46,47,48,49-tetradecol;5-ethyl-15,20,25,30,35-pentakis(hydroxymethyl)-10-[(4-propan-2-ylpiperazin-1-yl)methyl]-2,4,7,9,12,14,17,19,22,24,27,29,32,34-tetradecaoxaoctacyclo[31.2.2.23,6.28,11.213,16.218,21.223,26.228,31]nonatetracontane-36,37,38,39,40,41,42,43,44,45,46,47,48,49-tetradecol.
What is the SMILES notation for 5-ethyl-15,20,25,30,35-pentakis(hydroxymethyl)-10-(2-methylpropyl)-2,4,7,9,12,14,17,19,22,24,27,29,32,34-tetradecaoxaoctacyclo[31.2.2.23,6.28,11.213,16.218,21.223,26.228,31]nonatetracontane-36,37,38,39,40,41,42,43,44,45,46,47,48,49-tetradecol;5-ethyl-15,20,25,30,35-pentakis(hydroxymethyl)-10-[(4-propan-2-ylpiperazin-1-yl)methyl]-2,4,7,9,12,14,17,19,22,24,27,29,32,34-tetradecaoxaoctacyclo[31.2.2.23,6.28,11.213,16.218,21.223,26.228,31]nonatetracontane-36,37,38,39,40,41,42,43,44,45,46,47,48,49-tetradecol?
The canonical SMILES for 5-ethyl-15,20,25,30,35-pentakis(hydroxymethyl)-10-(2-methylpropyl)-2,4,7,9,12,14,17,19,22,24,27,29,32,34-tetradecaoxaoctacyclo[31.2.2.23,6.28,11.213,16.218,21.223,26.228,31]nonatetracontane-36,37,38,39,40,41,42,43,44,45,46,47,48,49-tetradecol;5-ethyl-15,20,25,30,35-pentakis(hydroxymethyl)-10-[(4-propan-2-ylpiperazin-1-yl)methyl]-2,4,7,9,12,14,17,19,22,24,27,29,32,34-tetradecaoxaoctacyclo[31.2.2.23,6.28,11.213,16.218,21.223,26.228,31]nonatetracontane-36,37,38,39,40,41,42,43,44,45,46,47,48,49-tetradecol is CCC1OC2OC3C(CO)OC(OC4C(CO)OC(OC5C(CO)OC(OC6C(CO)OC(OC7C(CO)OC(OC8C(CC(C)C)OC(OC1C(O)C2O)C(O)C8O)C(O)C7O)C(O)C6O)C(O)C5O)C(O)C4O)C(O)C3O.CCC1OC2OC3C(CO)OC(OC4C(CO)OC(OC5C(CO)OC(OC6C(CO)OC(OC7C(CO)OC(OC8C(CN9CCN(C(C)C)CC9)OC(OC1C(O)C2O)C(O)C8O)C(O)C7O)C(O)C6O)C(O)C5O)C(O)C4O)C(O)C3O.
What is the InChIKey of 5-ethyl-15,20,25,30,35-pentakis(hydroxymethyl)-10-(2-methylpropyl)-2,4,7,9,12,14,17,19,22,24,27,29,32,34-tetradecaoxaoctacyclo[31.2.2.23,6.28,11.213,16.218,21.223,26.228,31]nonatetracontane-36,37,38,39,40,41,42,43,44,45,46,47,48,49-tetradecol;5-ethyl-15,20,25,30,35-pentakis(hydroxymethyl)-10-[(4-propan-2-ylpiperazin-1-yl)methyl]-2,4,7,9,12,14,17,19,22,24,27,29,32,34-tetradecaoxaoctacyclo[31.2.2.23,6.28,11.213,16.218,21.223,26.228,31]nonatetracontane-36,37,38,39,40,41,42,43,44,45,46,47,48,49-tetradecol?
The InChIKey is IXWSPAUEYUIZHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H86N2O33.C46H78O33/c1-4-16-37-23(58)30(65)44(72-16)81-39-18(10-53)75-47(33(68)26(39)61)83-41-20(12-55)77-49(35(70)28(41)63)85-43-22(14-57)78-50(36(71)29(43)64)84-42-21(13-56)76-48(34(69)27(42)62)82-40-19(11-54)74-46(32(67)25(40)60)80-38-17(73-45(79-37)31(66)24(38)59)9-51-5-7-52(8-6-51)15(2)3;1-4-12-33-19(52)26(59)40(66-12)75-35-14(6-47)69-43(29(62)22(35)55)77-37-16(8-49)71-45(31(64)24(37)57)79-39-18(10-51)72-46(32(65)25(39)58)78-38-17(9-50)70-44(30(63)23(38)56)76-36-15(7-48)68-42(28(61)21(36)54)74-34-13(5-11(2)3)67-41(73-33)27(60)20(34)53/h15-50,53-71H,4-14H2,1-3H3;11-65H,4-10H2,1-3H3.
What are the key properties of 5-ethyl-15,20,25,30,35-pentakis(hydroxymethyl)-10-(2-methylpropyl)-2,4,7,9,12,14,17,19,22,24,27,29,32,34-tetradecaoxaoctacyclo[31.2.2.23,6.28,11.213,16.218,21.223,26.228,31]nonatetracontane-36,37,38,39,40,41,42,43,44,45,46,47,48,49-tetradecol;5-ethyl-15,20,25,30,35-pentakis(hydroxymethyl)-10-[(4-propan-2-ylpiperazin-1-yl)methyl]-2,4,7,9,12,14,17,19,22,24,27,29,32,34-tetradecaoxaoctacyclo[31.2.2.23,6.28,11.213,16.218,21.223,26.228,31]nonatetracontane-36,37,38,39,40,41,42,43,44,45,46,47,48,49-tetradecol?
5-ethyl-15,20,25,30,35-pentakis(hydroxymethyl)-10-(2-methylpropyl)-2,4,7,9,12,14,17,19,22,24,27,29,32,34-tetradecaoxaoctacyclo[31.2.2.23,6.28,11.213,16.218,21.223,26.228,31]nonatetracontane-36,37,38,39,40,41,42,43,44,45,46,47,48,49-tetradecol;5-ethyl-15,20,25,30,35-pentakis(hydroxymethyl)-10-[(4-propan-2-ylpiperazin-1-yl)methyl]-2,4,7,9,12,14,17,19,22,24,27,29,32,34-tetradecaoxaoctacyclo[31.2.2.23,6.28,11.213,16.218,21.223,26.228,31]nonatetracontane-36,37,38,39,40,41,42,43,44,45,46,47,48,49-tetradecol has a molecular weight of 2402.32 g/mol, XLogP of -24.54, 17 rotatable bonds, 38 hydrogen bond donors, and 68 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-15,20,25,30,35-pentakis(hydroxymethyl)-10-(2-methylpropyl)-2,4,7,9,12,14,17,19,22,24,27,29,32,34-tetradecaoxaoctacyclo[31.2.2.23,6.28,11.213,16.218,21.223,26.228,31]nonatetracontane-36,37,38,39,40,41,42,43,44,45,46,47,48,49-tetradecol;5-ethyl-15,20,25,30,35-pentakis(hydroxymethyl)-10-[(4-propan-2-ylpiperazin-1-yl)methyl]-2,4,7,9,12,14,17,19,22,24,27,29,32,34-tetradecaoxaoctacyclo[31.2.2.23,6.28,11.213,16.218,21.223,26.228,31]nonatetracontane-36,37,38,39,40,41,42,43,44,45,46,47,48,49-tetradecol is sourced from PubChem (CID 158838095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).