lithium;(3S,6S,9S,12R,15S,18S,21S,24S,30S,33S)-24-(2,2-dimethylpropyl)-30-ethyl-33-[(E,1R,2R)-1-hydroxy-2-methylhex-4-enyl]-1,4,7,10,12,15,19,25,28-nonamethyl-27-methylidene-6,9,18-tris(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-33-[(E,1R,2R)-1-hydroxy-2-methylhex-4-enyl]-24-(2-hydroxy-2-methylpropyl)-27-(3-hydroxypropylsulfanylmethyl)-1,4,7,10,12,15,19,25,28-nonamethyl-6,9,18-tris(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;methanol;3-sulfanylpropan-1-ol;hydroxide

C134H245LiN22O29S2 — CID 157147871

IUPAClithium;(3S,6S,9S,12R,15S,18S,21S,24S,30S,33S)-24-(2,2-dimethylpropyl)-30-ethyl-33-[(E,1R,2R)-1-hydroxy-2-methylhex-4-enyl]-1,4,7,10,12,15,19,25,28-nonamethyl-27-methylidene-6,9,18-tris(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-33-[(E,1R,2R)-1-hydroxy-2-methylhex-4-enyl]-24-(2-hydroxy-2-methylpropyl)-27-(3-hydroxypropylsulfanylmethyl)-1,4,7,10,12,15,19,25,28-nonamethyl-6,9,18-tris(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;methanol;3-sulfanylpropan-1-ol;hydroxide
SMILESC/C=C/C[C@@H](C)[C@@H](O)[C@H]1C(=O)N[C@@H](CC)C(=O)N(C)[C@H](CSCCCO)C(=O)N(C)[C@@H](CC(C)(C)O)C(=O)N[C@@H](C(C)C)C(=O)N(C)[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@H](C)C(=O)N(C)[C@@H](CC(C)C)C(=O)N(C)[C@@H](CC(C)C)C(=O)N(C)[C@@H](C(C)C)C(=O)N1C.C=C1C(=O)N(C)[C@@H](CC(C)(C)C)C(=O)N[C@@H](C(C)C)C(=O)N(C)[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@H](C)C(=O)N(C)[C@@H](CC(C)C)C(=O)N(C)[C@@H](CC(C)C)C(=O)N(C)[C@@H](C(C)C)C(=O)N(C)[C@@H]([C@H](O)[C@H](C)C/C=C/C)C(=O)N[C@@H](CC)C(=O)N1C.CO.OCCCS.[Li+].[OH-]
InChIInChI=1S/C66H119N11O14S.C64H113N11O12.C3H8OS.CH4O.Li.H2O/c1-25-27-29-42(13)54(79)53-58(83)69-45(26-2)60(85)75(22)50(36-92-31-28-30-78)63(88)74(21)49(35-66(16,17)91)57(82)70-51(40(9)10)64(89)71(18)46(32-37(3)4)56(81)67-43(14)55(80)68-44(15)59(84)72(19)47(33-38(5)6)61(86)73(20)48(34-39(7)8)62(87)76(23)52(41(11)12)65(90)77(53)24;1-27-29-30-40(13)52(76)51-56(80)67-44(28-2)59(83)69(20)43(16)58(82)73(24)48(34-64(17,18)19)55(79)68-49(38(9)10)62(86)70(21)45(31-35(3)4)54(78)65-41(14)53(77)66-42(15)57(81)71(22)46(32-36(5)6)60(84)72(23)47(33-37(7)8)61(85)74(25)50(39(11)12)63(87)75(51)26;4-2-1-3-5;1-2;;/h25,27,37-54,78-79,91H,26,28-36H2,1-24H3,(H,67,81)(H,68,80)(H,69,83)(H,70,82);27,29,35-42,44-52,76H,16,28,30-34H2,1-15,17-26H3,(H,65,78)(H,66,77)(H,67,80)(H,68,79);4-5H,1-3H2;2H,1H3;;1H2/q;;;;+1;/p-1/b27-25+;29-27+;;;;/t42-,43+,44-,45+,46+,47+,48+,49+,50-,51+,52+,53+,54-;40-,41+,42-,44+,45+,46+,47+,48+,49+,50+,51+,52-;;;;/m11..../s1
InChIKeyAKXIVBAYHIZPPC-QEASMKQFSA-M
MW2699.63 g/mol
LogP3.78
Rot. Bonds36

About lithium;(3S,6S,9S,12R,15S,18S,21S,24S,30S,33S)-24-(2,2-dimethylpropyl)-30-ethyl-33-[(E,1R,2R)-1-hydroxy-2-methylhex-4-enyl]-1,4,7,10,12,15,19,25,28-nonamethyl-27-methylidene-6,9,18-tris(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-33-[(E,1R,2R)-1-hydroxy-2-methylhex-4-enyl]-24-(2-hydroxy-2-methylpropyl)-27-(3-hydroxypropylsulfanylmethyl)-1,4,7,10,12,15,19,25,28-nonamethyl-6,9,18-tris(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;methanol;3-sulfanylpropan-1-ol;hydroxide

lithium;(3S,6S,9S,12R,15S,18S,21S,24S,30S,33S)-24-(2,2-dimethylpropyl)-30-ethyl-33-[(E,1R,2R)-1-hydroxy-2-methylhex-4-enyl]-1,4,7,10,12,15,19,25,28-nonamethyl-27-methylidene-6,9,18-tris(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-33-[(E,1R,2R)-1-hydroxy-2-methylhex-4-enyl]-24-(2-hydroxy-2-methylpropyl)-27-(3-hydroxypropylsulfanylmethyl)-1,4,7,10,12,15,19,25,28-nonamethyl-6,9,18-tris(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;methanol;3-sulfanylpropan-1-ol;hydroxide (PubChem CID 157147871) has the molecular formula C134H245LiN22O29S2 and a molecular weight of 2699.63 g/mol. Its IUPAC name is lithium;(3S,6S,9S,12R,15S,18S,21S,24S,30S,33S)-24-(2,2-dimethylpropyl)-30-ethyl-33-[(E,1R,2R)-1-hydroxy-2-methylhex-4-enyl]-1,4,7,10,12,15,19,25,28-nonamethyl-27-methylidene-6,9,18-tris(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-33-[(E,1R,2R)-1-hydroxy-2-methylhex-4-enyl]-24-(2-hydroxy-2-methylpropyl)-27-(3-hydroxypropylsulfanylmethyl)-1,4,7,10,12,15,19,25,28-nonamethyl-6,9,18-tris(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;methanol;3-sulfanylpropan-1-ol;hydroxide.

Molecular Properties

Compound Namelithium;(3S,6S,9S,12R,15S,18S,21S,24S,30S,33S)-24-(2,2-dimethylpropyl)-30-ethyl-33-[(E,1R,2R)-1-hydroxy-2-methylhex-4-enyl]-1,4,7,10,12,15,19,25,28-nonamethyl-27-methylidene-6,9,18-tris(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-33-[(E,1R,2R)-1-hydroxy-2-methylhex-4-enyl]-24-(2-hydroxy-2-methylpropyl)-27-(3-hydroxypropylsulfanylmethyl)-1,4,7,10,12,15,19,25,28-nonamethyl-6,9,18-tris(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;methanol;3-sulfanylpropan-1-ol;hydroxide
PubChem CID157147871
Molecular FormulaC134H245LiN22O29S2
Molecular Weight2699.63 g/mol
Exact Mass2697.80
IUPAC Namelithium;(3S,6S,9S,12R,15S,18S,21S,24S,30S,33S)-24-(2,2-dimethylpropyl)-30-ethyl-33-[(E,1R,2R)-1-hydroxy-2-methylhex-4-enyl]-1,4,7,10,12,15,19,25,28-nonamethyl-27-methylidene-6,9,18-tris(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-33-[(E,1R,2R)-1-hydroxy-2-methylhex-4-enyl]-24-(2-hydroxy-2-methylpropyl)-27-(3-hydroxypropylsulfanylmethyl)-1,4,7,10,12,15,19,25,28-nonamethyl-6,9,18-tris(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;methanol;3-sulfanylpropan-1-ol;hydroxide
SMILESC/C=C/C[C@@H](C)[C@@H](O)[C@H]1C(=O)N[C@@H](CC)C(=O)N(C)[C@H](CSCCCO)C(=O)N(C)[C@@H](CC(C)(C)O)C(=O)N[C@@H](C(C)C)C(=O)N(C)[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@H](C)C(=O)N(C)[C@@H](CC(C)C)C(=O)N(C)[C@@H](CC(C)C)C(=O)N(C)[C@@H](C(C)C)C(=O)N1C.C=C1C(=O)N(C)[C@@H](CC(C)(C)C)C(=O)N[C@@H](C(C)C)C(=O)N(C)[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@H](C)C(=O)N(C)[C@@H](CC(C)C)C(=O)N(C)[C@@H](CC(C)C)C(=O)N(C)[C@@H](C(C)C)C(=O)N(C)[C@@H]([C@H](O)[C@H](C)C/C=C/C)C(=O)N[C@@H](CC)C(=O)N1C.CO.OCCCS.[Li+].[OH-]
InChIInChI=1S/C66H119N11O14S.C64H113N11O12.C3H8OS.CH4O.Li.H2O/c1-25-27-29-42(13)54(79)53-58(83)69-45(26-2)60(85)75(22)50(36-92-31-28-30-78)63(88)74(21)49(35-66(16,17)91)57(82)70-51(40(9)10)64(89)71(18)46(32-37(3)4)56(81)67-43(14)55(80)68-44(15)59(84)72(19)47(33-38(5)6)61(86)73(20)48(34-39(7)8)62(87)76(23)52(41(11)12)65(90)77(53)24;1-27-29-30-40(13)52(76)51-56(80)67-44(28-2)59(83)69(20)43(16)58(82)73(24)48(34-64(17,18)19)55(79)68-49(38(9)10)62(86)70(21)45(31-35(3)4)54(78)65-41(14)53(77)66-42(15)57(81)71(22)46(32-36(5)6)60(84)72(23)47(33-37(7)8)61(85)74(25)50(39(11)12)63(87)75(51)26;4-2-1-3-5;1-2;;/h25,27,37-54,78-79,91H,26,28-36H2,1-24H3,(H,67,81)(H,68,80)(H,69,83)(H,70,82);27,29,35-42,44-52,76H,16,28,30-34H2,1-15,17-26H3,(H,65,78)(H,66,77)(H,67,80)(H,68,79);4-5H,1-3H2;2H,1H3;;1H2/q;;;;+1;/p-1/b27-25+;29-27+;;;;/t42-,43+,44-,45+,46+,47+,48+,49+,50-,51+,52+,53+,54-;40-,41+,42-,44+,45+,46+,47+,48+,49+,50+,51+,52-;;;;/m11..../s1
InChIKeyAKXIVBAYHIZPPC-QEASMKQFSA-M
XLogP3.78
TPSA668.52 Ų
H-Bond Donors15
H-Bond Acceptors31
Rotatable Bonds36
Heavy Atoms188
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002699.63
LogP ≤ 53.78
H-Bond Donors ≤ 515
H-Bond Acceptors ≤ 1031

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

Analyze lithium;(3S,6S,9S,12R,15S,18S,21S,24S,30S,33S)-24-(2,2-dimethylpropyl)-30-ethyl-33-[(E,1R,2R)-1-hydroxy-2-methylhex-4-enyl]-1,4,7,10,12,15,19,25,28-nonamethyl-27-methylidene-6,9,18-tris(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-33-[(E,1R,2R)-1-hydroxy-2-methylhex-4-enyl]-24-(2-hydroxy-2-methylpropyl)-27-(3-hydroxypropylsulfanylmethyl)-1,4,7,10,12,15,19,25,28-nonamethyl-6,9,18-tris(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;methanol;3-sulfanylpropan-1-ol;hydroxide with MolForge

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Related Compounds

Frequently Asked Questions

What is the IUPAC name of lithium;(3S,6S,9S,12R,15S,18S,21S,24S,30S,33S)-24-(2,2-dimethylpropyl)-30-ethyl-33-[(E,1R,2R)-1-hydroxy-2-methylhex-4-enyl]-1,4,7,10,12,15,19,25,28-nonamethyl-27-methylidene-6,9,18-tris(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-33-[(E,1R,2R)-1-hydroxy-2-methylhex-4-enyl]-24-(2-hydroxy-2-methylpropyl)-27-(3-hydroxypropylsulfanylmethyl)-1,4,7,10,12,15,19,25,28-nonamethyl-6,9,18-tris(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;methanol;3-sulfanylpropan-1-ol;hydroxide?
The IUPAC name of lithium;(3S,6S,9S,12R,15S,18S,21S,24S,30S,33S)-24-(2,2-dimethylpropyl)-30-ethyl-33-[(E,1R,2R)-1-hydroxy-2-methylhex-4-enyl]-1,4,7,10,12,15,19,25,28-nonamethyl-27-methylidene-6,9,18-tris(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-33-[(E,1R,2R)-1-hydroxy-2-methylhex-4-enyl]-24-(2-hydroxy-2-methylpropyl)-27-(3-hydroxypropylsulfanylmethyl)-1,4,7,10,12,15,19,25,28-nonamethyl-6,9,18-tris(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;methanol;3-sulfanylpropan-1-ol;hydroxide (CID 157147871) is lithium;(3S,6S,9S,12R,15S,18S,21S,24S,30S,33S)-24-(2,2-dimethylpropyl)-30-ethyl-33-[(E,1R,2R)-1-hydroxy-2-methylhex-4-enyl]-1,4,7,10,12,15,19,25,28-nonamethyl-27-methylidene-6,9,18-tris(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-33-[(E,1R,2R)-1-hydroxy-2-methylhex-4-enyl]-24-(2-hydroxy-2-methylpropyl)-27-(3-hydroxypropylsulfanylmethyl)-1,4,7,10,12,15,19,25,28-nonamethyl-6,9,18-tris(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;methanol;3-sulfanylpropan-1-ol;hydroxide.
What is the SMILES notation for lithium;(3S,6S,9S,12R,15S,18S,21S,24S,30S,33S)-24-(2,2-dimethylpropyl)-30-ethyl-33-[(E,1R,2R)-1-hydroxy-2-methylhex-4-enyl]-1,4,7,10,12,15,19,25,28-nonamethyl-27-methylidene-6,9,18-tris(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-33-[(E,1R,2R)-1-hydroxy-2-methylhex-4-enyl]-24-(2-hydroxy-2-methylpropyl)-27-(3-hydroxypropylsulfanylmethyl)-1,4,7,10,12,15,19,25,28-nonamethyl-6,9,18-tris(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;methanol;3-sulfanylpropan-1-ol;hydroxide?
The canonical SMILES for lithium;(3S,6S,9S,12R,15S,18S,21S,24S,30S,33S)-24-(2,2-dimethylpropyl)-30-ethyl-33-[(E,1R,2R)-1-hydroxy-2-methylhex-4-enyl]-1,4,7,10,12,15,19,25,28-nonamethyl-27-methylidene-6,9,18-tris(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-33-[(E,1R,2R)-1-hydroxy-2-methylhex-4-enyl]-24-(2-hydroxy-2-methylpropyl)-27-(3-hydroxypropylsulfanylmethyl)-1,4,7,10,12,15,19,25,28-nonamethyl-6,9,18-tris(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;methanol;3-sulfanylpropan-1-ol;hydroxide is C/C=C/C[C@@H](C)[C@@H](O)[C@H]1C(=O)N[C@@H](CC)C(=O)N(C)[C@H](CSCCCO)C(=O)N(C)[C@@H](CC(C)(C)O)C(=O)N[C@@H](C(C)C)C(=O)N(C)[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@H](C)C(=O)N(C)[C@@H](CC(C)C)C(=O)N(C)[C@@H](CC(C)C)C(=O)N(C)[C@@H](C(C)C)C(=O)N1C.C=C1C(=O)N(C)[C@@H](CC(C)(C)C)C(=O)N[C@@H](C(C)C)C(=O)N(C)[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@H](C)C(=O)N(C)[C@@H](CC(C)C)C(=O)N(C)[C@@H](CC(C)C)C(=O)N(C)[C@@H](C(C)C)C(=O)N(C)[C@@H]([C@H](O)[C@H](C)C/C=C/C)C(=O)N[C@@H](CC)C(=O)N1C.CO.OCCCS.[Li+].[OH-].
What is the InChIKey of lithium;(3S,6S,9S,12R,15S,18S,21S,24S,30S,33S)-24-(2,2-dimethylpropyl)-30-ethyl-33-[(E,1R,2R)-1-hydroxy-2-methylhex-4-enyl]-1,4,7,10,12,15,19,25,28-nonamethyl-27-methylidene-6,9,18-tris(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-33-[(E,1R,2R)-1-hydroxy-2-methylhex-4-enyl]-24-(2-hydroxy-2-methylpropyl)-27-(3-hydroxypropylsulfanylmethyl)-1,4,7,10,12,15,19,25,28-nonamethyl-6,9,18-tris(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;methanol;3-sulfanylpropan-1-ol;hydroxide?
The InChIKey is AKXIVBAYHIZPPC-QEASMKQFSA-M. The full InChI is InChI=1S/C66H119N11O14S.C64H113N11O12.C3H8OS.CH4O.Li.H2O/c1-25-27-29-42(13)54(79)53-58(83)69-45(26-2)60(85)75(22)50(36-92-31-28-30-78)63(88)74(21)49(35-66(16,17)91)57(82)70-51(40(9)10)64(89)71(18)46(32-37(3)4)56(81)67-43(14)55(80)68-44(15)59(84)72(19)47(33-38(5)6)61(86)73(20)48(34-39(7)8)62(87)76(23)52(41(11)12)65(90)77(53)24;1-27-29-30-40(13)52(76)51-56(80)67-44(28-2)59(83)69(20)43(16)58(82)73(24)48(34-64(17,18)19)55(79)68-49(38(9)10)62(86)70(21)45(31-35(3)4)54(78)65-41(14)53(77)66-42(15)57(81)71(22)46(32-36(5)6)60(84)72(23)47(33-37(7)8)61(85)74(25)50(39(11)12)63(87)75(51)26;4-2-1-3-5;1-2;;/h25,27,37-54,78-79,91H,26,28-36H2,1-24H3,(H,67,81)(H,68,80)(H,69,83)(H,70,82);27,29,35-42,44-52,76H,16,28,30-34H2,1-15,17-26H3,(H,65,78)(H,66,77)(H,67,80)(H,68,79);4-5H,1-3H2;2H,1H3;;1H2/q;;;;+1;/p-1/b27-25+;29-27+;;;;/t42-,43+,44-,45+,46+,47+,48+,49+,50-,51+,52+,53+,54-;40-,41+,42-,44+,45+,46+,47+,48+,49+,50+,51+,52-;;;;/m11..../s1.
What are the key properties of lithium;(3S,6S,9S,12R,15S,18S,21S,24S,30S,33S)-24-(2,2-dimethylpropyl)-30-ethyl-33-[(E,1R,2R)-1-hydroxy-2-methylhex-4-enyl]-1,4,7,10,12,15,19,25,28-nonamethyl-27-methylidene-6,9,18-tris(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-33-[(E,1R,2R)-1-hydroxy-2-methylhex-4-enyl]-24-(2-hydroxy-2-methylpropyl)-27-(3-hydroxypropylsulfanylmethyl)-1,4,7,10,12,15,19,25,28-nonamethyl-6,9,18-tris(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;methanol;3-sulfanylpropan-1-ol;hydroxide?
lithium;(3S,6S,9S,12R,15S,18S,21S,24S,30S,33S)-24-(2,2-dimethylpropyl)-30-ethyl-33-[(E,1R,2R)-1-hydroxy-2-methylhex-4-enyl]-1,4,7,10,12,15,19,25,28-nonamethyl-27-methylidene-6,9,18-tris(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-33-[(E,1R,2R)-1-hydroxy-2-methylhex-4-enyl]-24-(2-hydroxy-2-methylpropyl)-27-(3-hydroxypropylsulfanylmethyl)-1,4,7,10,12,15,19,25,28-nonamethyl-6,9,18-tris(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;methanol;3-sulfanylpropan-1-ol;hydroxide has a molecular weight of 2699.63 g/mol, XLogP of 3.78, 36 rotatable bonds, 15 hydrogen bond donors, and 31 hydrogen bond acceptors.
Where does this data come from?
All data for lithium;(3S,6S,9S,12R,15S,18S,21S,24S,30S,33S)-24-(2,2-dimethylpropyl)-30-ethyl-33-[(E,1R,2R)-1-hydroxy-2-methylhex-4-enyl]-1,4,7,10,12,15,19,25,28-nonamethyl-27-methylidene-6,9,18-tris(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-33-[(E,1R,2R)-1-hydroxy-2-methylhex-4-enyl]-24-(2-hydroxy-2-methylpropyl)-27-(3-hydroxypropylsulfanylmethyl)-1,4,7,10,12,15,19,25,28-nonamethyl-6,9,18-tris(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;methanol;3-sulfanylpropan-1-ol;hydroxide is sourced from PubChem (CID 157147871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).