lithium;bis(carbon dioxide);(3S,6S,9S,12R,15S,18S,21S,24S,27S,30S,33S)-30-ethyl-27-(4-hydroxybutylsulfanylmethyl)-33-[(1R,2R)-1-hydroxy-2-methyl-5-(4-methylphenyl)pentyl]-1,4,7,10,12,15,19,25,28-nonamethyl-6,9,18,24-tetrakis(2-methylpropyl)-3,21-di(propan-2-yl)-1,4,7,10,13,16,19,22,25,28,31-undecazacyclotritriacontane-2,5,8,11,14,17,20,23,26,29,32-undecone;(3S,6S,9S,12R,15S,18S,21S,24S,27S,30S,33S)-30-ethyl-27-(4-hydroxybutylsulfanylmethyl)-33-[(1R,2R)-1-hydroxy-2-methyl-5-phenylpentyl]-1,4,7,10,12,15,19,25,28-nonamethyl-6,9,18,24-tetrakis(2-methylpropyl)-3,21-di(propan-2-yl)-1,4,7,10,13,16,19,22,25,28,31-undecazacyclotritriacontane-2,5,8,11,14,17,20,23,26,29,32-undecone;hydroxide;hydrochloride

C147H254ClLiN22O31S2 — CID 158305988

IUPAClithium;bis(carbon dioxide);(3S,6S,9S,12R,15S,18S,21S,24S,27S,30S,33S)-30-ethyl-27-(4-hydroxybutylsulfanylmethyl)-33-[(1R,2R)-1-hydroxy-2-methyl-5-(4-methylphenyl)pentyl]-1,4,7,10,12,15,19,25,28-nonamethyl-6,9,18,24-tetrakis(2-methylpropyl)-3,21-di(propan-2-yl)-1,4,7,10,13,16,19,22,25,28,31-undecazacyclotritriacontane-2,5,8,11,14,17,20,23,26,29,32-undecone;(3S,6S,9S,12R,15S,18S,21S,24S,27S,30S,33S)-30-ethyl-27-(4-hydroxybutylsulfanylmethyl)-33-[(1R,2R)-1-hydroxy-2-methyl-5-phenylpentyl]-1,4,7,10,12,15,19,25,28-nonamethyl-6,9,18,24-tetrakis(2-methylpropyl)-3,21-di(propan-2-yl)-1,4,7,10,13,16,19,22,25,28,31-undecazacyclotritriacontane-2,5,8,11,14,17,20,23,26,29,32-undecone;hydroxide;hydrochloride
SMILESCC[C@@H]1NC(=O)[C@H]([C@H](O)[C@H](C)CCCc2ccc(C)cc2)N(C)C(=O)[C@H](C(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](C(C)C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](CSCCCCO)N(C)C1=O.CC[C@@H]1NC(=O)[C@H]([C@H](O)[C@H](C)CCCc2ccccc2)N(C)C(=O)[C@H](C(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](C(C)C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](CSCCCCO)N(C)C1=O.Cl.O=C=O.O=C=O.[Li+].[OH-]
InChIInChI=1S/C73H127N11O13S.C72H125N11O13S.2CO2.ClH.Li.H2O/c1-25-53-68(92)82(22)58(41-98-36-27-26-35-85)71(95)78(18)55(38-43(4)5)65(89)77-59(46(10)11)72(96)79(19)54(37-42(2)3)64(88)74-50(16)63(87)75-51(17)67(91)80(20)56(39-44(6)7)69(93)81(21)57(40-45(8)9)70(94)83(23)60(47(12)13)73(97)84(24)61(66(90)76-53)62(86)49(15)29-28-30-52-33-31-48(14)32-34-52;1-24-52-67(91)81(21)57(41-97-36-29-28-35-84)70(94)77(17)54(38-43(4)5)64(88)76-58(46(10)11)71(95)78(18)53(37-42(2)3)63(87)73-49(15)62(86)74-50(16)66(90)79(19)55(39-44(6)7)68(92)80(20)56(40-45(8)9)69(93)82(22)59(47(12)13)72(96)83(23)60(65(89)75-52)61(85)48(14)31-30-34-51-32-26-25-27-33-51;2*2-1-3;;;/h31-34,42-47,49-51,53-62,85-86H,25-30,35-41H2,1-24H3,(H,74,88)(H,75,87)(H,76,90)(H,77,89);25-27,32-33,42-50,52-61,84-85H,24,28-31,34-41H2,1-23H3,(H,73,87)(H,74,86)(H,75,89)(H,76,88);;;1H;;1H2/q;;;;;+1;/p-1/t49-,50+,51-,53+,54+,55+,56+,57+,58-,59+,60+,61+,62-;48-,49+,50-,52+,53+,54+,55+,56+,57-,58+,59+,60+,61-;;;;;/m11...../s1
InChIKeyPZPMFUAFTJTKIT-JWWSLQLKSA-M
MW2932.30 g/mol
LogP6.79
Rot. Bonds46

About lithium;bis(carbon dioxide);(3S,6S,9S,12R,15S,18S,21S,24S,27S,30S,33S)-30-ethyl-27-(4-hydroxybutylsulfanylmethyl)-33-[(1R,2R)-1-hydroxy-2-methyl-5-(4-methylphenyl)pentyl]-1,4,7,10,12,15,19,25,28-nonamethyl-6,9,18,24-tetrakis(2-methylpropyl)-3,21-di(propan-2-yl)-1,4,7,10,13,16,19,22,25,28,31-undecazacyclotritriacontane-2,5,8,11,14,17,20,23,26,29,32-undecone;(3S,6S,9S,12R,15S,18S,21S,24S,27S,30S,33S)-30-ethyl-27-(4-hydroxybutylsulfanylmethyl)-33-[(1R,2R)-1-hydroxy-2-methyl-5-phenylpentyl]-1,4,7,10,12,15,19,25,28-nonamethyl-6,9,18,24-tetrakis(2-methylpropyl)-3,21-di(propan-2-yl)-1,4,7,10,13,16,19,22,25,28,31-undecazacyclotritriacontane-2,5,8,11,14,17,20,23,26,29,32-undecone;hydroxide;hydrochloride

lithium;bis(carbon dioxide);(3S,6S,9S,12R,15S,18S,21S,24S,27S,30S,33S)-30-ethyl-27-(4-hydroxybutylsulfanylmethyl)-33-[(1R,2R)-1-hydroxy-2-methyl-5-(4-methylphenyl)pentyl]-1,4,7,10,12,15,19,25,28-nonamethyl-6,9,18,24-tetrakis(2-methylpropyl)-3,21-di(propan-2-yl)-1,4,7,10,13,16,19,22,25,28,31-undecazacyclotritriacontane-2,5,8,11,14,17,20,23,26,29,32-undecone;(3S,6S,9S,12R,15S,18S,21S,24S,27S,30S,33S)-30-ethyl-27-(4-hydroxybutylsulfanylmethyl)-33-[(1R,2R)-1-hydroxy-2-methyl-5-phenylpentyl]-1,4,7,10,12,15,19,25,28-nonamethyl-6,9,18,24-tetrakis(2-methylpropyl)-3,21-di(propan-2-yl)-1,4,7,10,13,16,19,22,25,28,31-undecazacyclotritriacontane-2,5,8,11,14,17,20,23,26,29,32-undecone;hydroxide;hydrochloride (PubChem CID 158305988) has the molecular formula C147H254ClLiN22O31S2 and a molecular weight of 2932.30 g/mol. Its IUPAC name is lithium;bis(carbon dioxide);(3S,6S,9S,12R,15S,18S,21S,24S,27S,30S,33S)-30-ethyl-27-(4-hydroxybutylsulfanylmethyl)-33-[(1R,2R)-1-hydroxy-2-methyl-5-(4-methylphenyl)pentyl]-1,4,7,10,12,15,19,25,28-nonamethyl-6,9,18,24-tetrakis(2-methylpropyl)-3,21-di(propan-2-yl)-1,4,7,10,13,16,19,22,25,28,31-undecazacyclotritriacontane-2,5,8,11,14,17,20,23,26,29,32-undecone;(3S,6S,9S,12R,15S,18S,21S,24S,27S,30S,33S)-30-ethyl-27-(4-hydroxybutylsulfanylmethyl)-33-[(1R,2R)-1-hydroxy-2-methyl-5-phenylpentyl]-1,4,7,10,12,15,19,25,28-nonamethyl-6,9,18,24-tetrakis(2-methylpropyl)-3,21-di(propan-2-yl)-1,4,7,10,13,16,19,22,25,28,31-undecazacyclotritriacontane-2,5,8,11,14,17,20,23,26,29,32-undecone;hydroxide;hydrochloride.

Molecular Properties

Compound Namelithium;bis(carbon dioxide);(3S,6S,9S,12R,15S,18S,21S,24S,27S,30S,33S)-30-ethyl-27-(4-hydroxybutylsulfanylmethyl)-33-[(1R,2R)-1-hydroxy-2-methyl-5-(4-methylphenyl)pentyl]-1,4,7,10,12,15,19,25,28-nonamethyl-6,9,18,24-tetrakis(2-methylpropyl)-3,21-di(propan-2-yl)-1,4,7,10,13,16,19,22,25,28,31-undecazacyclotritriacontane-2,5,8,11,14,17,20,23,26,29,32-undecone;(3S,6S,9S,12R,15S,18S,21S,24S,27S,30S,33S)-30-ethyl-27-(4-hydroxybutylsulfanylmethyl)-33-[(1R,2R)-1-hydroxy-2-methyl-5-phenylpentyl]-1,4,7,10,12,15,19,25,28-nonamethyl-6,9,18,24-tetrakis(2-methylpropyl)-3,21-di(propan-2-yl)-1,4,7,10,13,16,19,22,25,28,31-undecazacyclotritriacontane-2,5,8,11,14,17,20,23,26,29,32-undecone;hydroxide;hydrochloride
PubChem CID158305988
Molecular FormulaC147H254ClLiN22O31S2
Molecular Weight2932.30 g/mol
Exact Mass2929.83
IUPAC Namelithium;bis(carbon dioxide);(3S,6S,9S,12R,15S,18S,21S,24S,27S,30S,33S)-30-ethyl-27-(4-hydroxybutylsulfanylmethyl)-33-[(1R,2R)-1-hydroxy-2-methyl-5-(4-methylphenyl)pentyl]-1,4,7,10,12,15,19,25,28-nonamethyl-6,9,18,24-tetrakis(2-methylpropyl)-3,21-di(propan-2-yl)-1,4,7,10,13,16,19,22,25,28,31-undecazacyclotritriacontane-2,5,8,11,14,17,20,23,26,29,32-undecone;(3S,6S,9S,12R,15S,18S,21S,24S,27S,30S,33S)-30-ethyl-27-(4-hydroxybutylsulfanylmethyl)-33-[(1R,2R)-1-hydroxy-2-methyl-5-phenylpentyl]-1,4,7,10,12,15,19,25,28-nonamethyl-6,9,18,24-tetrakis(2-methylpropyl)-3,21-di(propan-2-yl)-1,4,7,10,13,16,19,22,25,28,31-undecazacyclotritriacontane-2,5,8,11,14,17,20,23,26,29,32-undecone;hydroxide;hydrochloride
SMILESCC[C@@H]1NC(=O)[C@H]([C@H](O)[C@H](C)CCCc2ccc(C)cc2)N(C)C(=O)[C@H](C(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](C(C)C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](CSCCCCO)N(C)C1=O.CC[C@@H]1NC(=O)[C@H]([C@H](O)[C@H](C)CCCc2ccccc2)N(C)C(=O)[C@H](C(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](C(C)C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](CSCCCCO)N(C)C1=O.Cl.O=C=O.O=C=O.[Li+].[OH-]
InChIInChI=1S/C73H127N11O13S.C72H125N11O13S.2CO2.ClH.Li.H2O/c1-25-53-68(92)82(22)58(41-98-36-27-26-35-85)71(95)78(18)55(38-43(4)5)65(89)77-59(46(10)11)72(96)79(19)54(37-42(2)3)64(88)74-50(16)63(87)75-51(17)67(91)80(20)56(39-44(6)7)69(93)81(21)57(40-45(8)9)70(94)83(23)60(47(12)13)73(97)84(24)61(66(90)76-53)62(86)49(15)29-28-30-52-33-31-48(14)32-34-52;1-24-52-67(91)81(21)57(41-97-36-29-28-35-84)70(94)77(17)54(38-43(4)5)64(88)76-58(46(10)11)71(95)78(18)53(37-42(2)3)63(87)73-49(15)62(86)74-50(16)66(90)79(19)55(39-44(6)7)68(92)80(20)56(40-45(8)9)69(93)82(22)59(47(12)13)72(96)83(23)60(65(89)75-52)61(85)48(14)31-30-34-51-32-26-25-27-33-51;2*2-1-3;;;/h31-34,42-47,49-51,53-62,85-86H,25-30,35-41H2,1-24H3,(H,74,88)(H,75,87)(H,76,90)(H,77,89);25-27,32-33,42-50,52-61,84-85H,24,28-31,34-41H2,1-23H3,(H,73,87)(H,74,86)(H,75,89)(H,76,88);;;1H;;1H2/q;;;;;+1;/p-1/t49-,50+,51-,53+,54+,55+,56+,57+,58-,59+,60+,61+,62-;48-,49+,50-,52+,53+,54+,55+,56+,57-,58+,59+,60+,61-;;;;;/m11...../s1
InChIKeyPZPMFUAFTJTKIT-JWWSLQLKSA-M
XLogP6.79
TPSA696.34 Ų
H-Bond Donors12
H-Bond Acceptors33
Rotatable Bonds46
Heavy Atoms204
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002932.30
LogP ≤ 56.79
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1033

Analyze lithium;bis(carbon dioxide);(3S,6S,9S,12R,15S,18S,21S,24S,27S,30S,33S)-30-ethyl-27-(4-hydroxybutylsulfanylmethyl)-33-[(1R,2R)-1-hydroxy-2-methyl-5-(4-methylphenyl)pentyl]-1,4,7,10,12,15,19,25,28-nonamethyl-6,9,18,24-tetrakis(2-methylpropyl)-3,21-di(propan-2-yl)-1,4,7,10,13,16,19,22,25,28,31-undecazacyclotritriacontane-2,5,8,11,14,17,20,23,26,29,32-undecone;(3S,6S,9S,12R,15S,18S,21S,24S,27S,30S,33S)-30-ethyl-27-(4-hydroxybutylsulfanylmethyl)-33-[(1R,2R)-1-hydroxy-2-methyl-5-phenylpentyl]-1,4,7,10,12,15,19,25,28-nonamethyl-6,9,18,24-tetrakis(2-methylpropyl)-3,21-di(propan-2-yl)-1,4,7,10,13,16,19,22,25,28,31-undecazacyclotritriacontane-2,5,8,11,14,17,20,23,26,29,32-undecone;hydroxide;hydrochloride with MolForge

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Frequently Asked Questions

What is the IUPAC name of lithium;bis(carbon dioxide);(3S,6S,9S,12R,15S,18S,21S,24S,27S,30S,33S)-30-ethyl-27-(4-hydroxybutylsulfanylmethyl)-33-[(1R,2R)-1-hydroxy-2-methyl-5-(4-methylphenyl)pentyl]-1,4,7,10,12,15,19,25,28-nonamethyl-6,9,18,24-tetrakis(2-methylpropyl)-3,21-di(propan-2-yl)-1,4,7,10,13,16,19,22,25,28,31-undecazacyclotritriacontane-2,5,8,11,14,17,20,23,26,29,32-undecone;(3S,6S,9S,12R,15S,18S,21S,24S,27S,30S,33S)-30-ethyl-27-(4-hydroxybutylsulfanylmethyl)-33-[(1R,2R)-1-hydroxy-2-methyl-5-phenylpentyl]-1,4,7,10,12,15,19,25,28-nonamethyl-6,9,18,24-tetrakis(2-methylpropyl)-3,21-di(propan-2-yl)-1,4,7,10,13,16,19,22,25,28,31-undecazacyclotritriacontane-2,5,8,11,14,17,20,23,26,29,32-undecone;hydroxide;hydrochloride?
The IUPAC name of lithium;bis(carbon dioxide);(3S,6S,9S,12R,15S,18S,21S,24S,27S,30S,33S)-30-ethyl-27-(4-hydroxybutylsulfanylmethyl)-33-[(1R,2R)-1-hydroxy-2-methyl-5-(4-methylphenyl)pentyl]-1,4,7,10,12,15,19,25,28-nonamethyl-6,9,18,24-tetrakis(2-methylpropyl)-3,21-di(propan-2-yl)-1,4,7,10,13,16,19,22,25,28,31-undecazacyclotritriacontane-2,5,8,11,14,17,20,23,26,29,32-undecone;(3S,6S,9S,12R,15S,18S,21S,24S,27S,30S,33S)-30-ethyl-27-(4-hydroxybutylsulfanylmethyl)-33-[(1R,2R)-1-hydroxy-2-methyl-5-phenylpentyl]-1,4,7,10,12,15,19,25,28-nonamethyl-6,9,18,24-tetrakis(2-methylpropyl)-3,21-di(propan-2-yl)-1,4,7,10,13,16,19,22,25,28,31-undecazacyclotritriacontane-2,5,8,11,14,17,20,23,26,29,32-undecone;hydroxide;hydrochloride (CID 158305988) is lithium;bis(carbon dioxide);(3S,6S,9S,12R,15S,18S,21S,24S,27S,30S,33S)-30-ethyl-27-(4-hydroxybutylsulfanylmethyl)-33-[(1R,2R)-1-hydroxy-2-methyl-5-(4-methylphenyl)pentyl]-1,4,7,10,12,15,19,25,28-nonamethyl-6,9,18,24-tetrakis(2-methylpropyl)-3,21-di(propan-2-yl)-1,4,7,10,13,16,19,22,25,28,31-undecazacyclotritriacontane-2,5,8,11,14,17,20,23,26,29,32-undecone;(3S,6S,9S,12R,15S,18S,21S,24S,27S,30S,33S)-30-ethyl-27-(4-hydroxybutylsulfanylmethyl)-33-[(1R,2R)-1-hydroxy-2-methyl-5-phenylpentyl]-1,4,7,10,12,15,19,25,28-nonamethyl-6,9,18,24-tetrakis(2-methylpropyl)-3,21-di(propan-2-yl)-1,4,7,10,13,16,19,22,25,28,31-undecazacyclotritriacontane-2,5,8,11,14,17,20,23,26,29,32-undecone;hydroxide;hydrochloride.
What is the SMILES notation for lithium;bis(carbon dioxide);(3S,6S,9S,12R,15S,18S,21S,24S,27S,30S,33S)-30-ethyl-27-(4-hydroxybutylsulfanylmethyl)-33-[(1R,2R)-1-hydroxy-2-methyl-5-(4-methylphenyl)pentyl]-1,4,7,10,12,15,19,25,28-nonamethyl-6,9,18,24-tetrakis(2-methylpropyl)-3,21-di(propan-2-yl)-1,4,7,10,13,16,19,22,25,28,31-undecazacyclotritriacontane-2,5,8,11,14,17,20,23,26,29,32-undecone;(3S,6S,9S,12R,15S,18S,21S,24S,27S,30S,33S)-30-ethyl-27-(4-hydroxybutylsulfanylmethyl)-33-[(1R,2R)-1-hydroxy-2-methyl-5-phenylpentyl]-1,4,7,10,12,15,19,25,28-nonamethyl-6,9,18,24-tetrakis(2-methylpropyl)-3,21-di(propan-2-yl)-1,4,7,10,13,16,19,22,25,28,31-undecazacyclotritriacontane-2,5,8,11,14,17,20,23,26,29,32-undecone;hydroxide;hydrochloride?
The canonical SMILES for lithium;bis(carbon dioxide);(3S,6S,9S,12R,15S,18S,21S,24S,27S,30S,33S)-30-ethyl-27-(4-hydroxybutylsulfanylmethyl)-33-[(1R,2R)-1-hydroxy-2-methyl-5-(4-methylphenyl)pentyl]-1,4,7,10,12,15,19,25,28-nonamethyl-6,9,18,24-tetrakis(2-methylpropyl)-3,21-di(propan-2-yl)-1,4,7,10,13,16,19,22,25,28,31-undecazacyclotritriacontane-2,5,8,11,14,17,20,23,26,29,32-undecone;(3S,6S,9S,12R,15S,18S,21S,24S,27S,30S,33S)-30-ethyl-27-(4-hydroxybutylsulfanylmethyl)-33-[(1R,2R)-1-hydroxy-2-methyl-5-phenylpentyl]-1,4,7,10,12,15,19,25,28-nonamethyl-6,9,18,24-tetrakis(2-methylpropyl)-3,21-di(propan-2-yl)-1,4,7,10,13,16,19,22,25,28,31-undecazacyclotritriacontane-2,5,8,11,14,17,20,23,26,29,32-undecone;hydroxide;hydrochloride is CC[C@@H]1NC(=O)[C@H]([C@H](O)[C@H](C)CCCc2ccc(C)cc2)N(C)C(=O)[C@H](C(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](C(C)C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](CSCCCCO)N(C)C1=O.CC[C@@H]1NC(=O)[C@H]([C@H](O)[C@H](C)CCCc2ccccc2)N(C)C(=O)[C@H](C(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](C(C)C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](CSCCCCO)N(C)C1=O.Cl.O=C=O.O=C=O.[Li+].[OH-].
What is the InChIKey of lithium;bis(carbon dioxide);(3S,6S,9S,12R,15S,18S,21S,24S,27S,30S,33S)-30-ethyl-27-(4-hydroxybutylsulfanylmethyl)-33-[(1R,2R)-1-hydroxy-2-methyl-5-(4-methylphenyl)pentyl]-1,4,7,10,12,15,19,25,28-nonamethyl-6,9,18,24-tetrakis(2-methylpropyl)-3,21-di(propan-2-yl)-1,4,7,10,13,16,19,22,25,28,31-undecazacyclotritriacontane-2,5,8,11,14,17,20,23,26,29,32-undecone;(3S,6S,9S,12R,15S,18S,21S,24S,27S,30S,33S)-30-ethyl-27-(4-hydroxybutylsulfanylmethyl)-33-[(1R,2R)-1-hydroxy-2-methyl-5-phenylpentyl]-1,4,7,10,12,15,19,25,28-nonamethyl-6,9,18,24-tetrakis(2-methylpropyl)-3,21-di(propan-2-yl)-1,4,7,10,13,16,19,22,25,28,31-undecazacyclotritriacontane-2,5,8,11,14,17,20,23,26,29,32-undecone;hydroxide;hydrochloride?
The InChIKey is PZPMFUAFTJTKIT-JWWSLQLKSA-M. The full InChI is InChI=1S/C73H127N11O13S.C72H125N11O13S.2CO2.ClH.Li.H2O/c1-25-53-68(92)82(22)58(41-98-36-27-26-35-85)71(95)78(18)55(38-43(4)5)65(89)77-59(46(10)11)72(96)79(19)54(37-42(2)3)64(88)74-50(16)63(87)75-51(17)67(91)80(20)56(39-44(6)7)69(93)81(21)57(40-45(8)9)70(94)83(23)60(47(12)13)73(97)84(24)61(66(90)76-53)62(86)49(15)29-28-30-52-33-31-48(14)32-34-52;1-24-52-67(91)81(21)57(41-97-36-29-28-35-84)70(94)77(17)54(38-43(4)5)64(88)76-58(46(10)11)71(95)78(18)53(37-42(2)3)63(87)73-49(15)62(86)74-50(16)66(90)79(19)55(39-44(6)7)68(92)80(20)56(40-45(8)9)69(93)82(22)59(47(12)13)72(96)83(23)60(65(89)75-52)61(85)48(14)31-30-34-51-32-26-25-27-33-51;2*2-1-3;;;/h31-34,42-47,49-51,53-62,85-86H,25-30,35-41H2,1-24H3,(H,74,88)(H,75,87)(H,76,90)(H,77,89);25-27,32-33,42-50,52-61,84-85H,24,28-31,34-41H2,1-23H3,(H,73,87)(H,74,86)(H,75,89)(H,76,88);;;1H;;1H2/q;;;;;+1;/p-1/t49-,50+,51-,53+,54+,55+,56+,57+,58-,59+,60+,61+,62-;48-,49+,50-,52+,53+,54+,55+,56+,57-,58+,59+,60+,61-;;;;;/m11...../s1.
What are the key properties of lithium;bis(carbon dioxide);(3S,6S,9S,12R,15S,18S,21S,24S,27S,30S,33S)-30-ethyl-27-(4-hydroxybutylsulfanylmethyl)-33-[(1R,2R)-1-hydroxy-2-methyl-5-(4-methylphenyl)pentyl]-1,4,7,10,12,15,19,25,28-nonamethyl-6,9,18,24-tetrakis(2-methylpropyl)-3,21-di(propan-2-yl)-1,4,7,10,13,16,19,22,25,28,31-undecazacyclotritriacontane-2,5,8,11,14,17,20,23,26,29,32-undecone;(3S,6S,9S,12R,15S,18S,21S,24S,27S,30S,33S)-30-ethyl-27-(4-hydroxybutylsulfanylmethyl)-33-[(1R,2R)-1-hydroxy-2-methyl-5-phenylpentyl]-1,4,7,10,12,15,19,25,28-nonamethyl-6,9,18,24-tetrakis(2-methylpropyl)-3,21-di(propan-2-yl)-1,4,7,10,13,16,19,22,25,28,31-undecazacyclotritriacontane-2,5,8,11,14,17,20,23,26,29,32-undecone;hydroxide;hydrochloride?
lithium;bis(carbon dioxide);(3S,6S,9S,12R,15S,18S,21S,24S,27S,30S,33S)-30-ethyl-27-(4-hydroxybutylsulfanylmethyl)-33-[(1R,2R)-1-hydroxy-2-methyl-5-(4-methylphenyl)pentyl]-1,4,7,10,12,15,19,25,28-nonamethyl-6,9,18,24-tetrakis(2-methylpropyl)-3,21-di(propan-2-yl)-1,4,7,10,13,16,19,22,25,28,31-undecazacyclotritriacontane-2,5,8,11,14,17,20,23,26,29,32-undecone;(3S,6S,9S,12R,15S,18S,21S,24S,27S,30S,33S)-30-ethyl-27-(4-hydroxybutylsulfanylmethyl)-33-[(1R,2R)-1-hydroxy-2-methyl-5-phenylpentyl]-1,4,7,10,12,15,19,25,28-nonamethyl-6,9,18,24-tetrakis(2-methylpropyl)-3,21-di(propan-2-yl)-1,4,7,10,13,16,19,22,25,28,31-undecazacyclotritriacontane-2,5,8,11,14,17,20,23,26,29,32-undecone;hydroxide;hydrochloride has a molecular weight of 2932.30 g/mol, XLogP of 6.79, 46 rotatable bonds, 12 hydrogen bond donors, and 33 hydrogen bond acceptors.
Where does this data come from?
All data for lithium;bis(carbon dioxide);(3S,6S,9S,12R,15S,18S,21S,24S,27S,30S,33S)-30-ethyl-27-(4-hydroxybutylsulfanylmethyl)-33-[(1R,2R)-1-hydroxy-2-methyl-5-(4-methylphenyl)pentyl]-1,4,7,10,12,15,19,25,28-nonamethyl-6,9,18,24-tetrakis(2-methylpropyl)-3,21-di(propan-2-yl)-1,4,7,10,13,16,19,22,25,28,31-undecazacyclotritriacontane-2,5,8,11,14,17,20,23,26,29,32-undecone;(3S,6S,9S,12R,15S,18S,21S,24S,27S,30S,33S)-30-ethyl-27-(4-hydroxybutylsulfanylmethyl)-33-[(1R,2R)-1-hydroxy-2-methyl-5-phenylpentyl]-1,4,7,10,12,15,19,25,28-nonamethyl-6,9,18,24-tetrakis(2-methylpropyl)-3,21-di(propan-2-yl)-1,4,7,10,13,16,19,22,25,28,31-undecazacyclotritriacontane-2,5,8,11,14,17,20,23,26,29,32-undecone;hydroxide;hydrochloride is sourced from PubChem (CID 158305988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).