acetonitrile;[(4E)-4-[2-[(1R,5R,6R,8aS)-6-hydroxy-5-(hydroxymethyl)-5,8a-dimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]ethylidene]-5-oxooxolan-3-yl] 5-(dithiolan-3-yl)pentanoate;ethyl [(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[5-methyl-1-propan-2-yl-4-[(4-propan-2-yloxyphenyl)methyl]pyrazol-3-yl]oxyoxan-2-yl]methyl carbonate;2-[[(1S)-1-[3-fluoro-5-[[5-methyl-2-[4-(trifluoromethoxy)phenyl]-1,3-oxazol-4-yl]methoxy]phenyl]ethyl]-methoxycarbonylamino]acetic acid;(2S,3R,4R,5S,6R)-2-[3-[1-[5-(4-fluorophenyl)thiophen-2-yl]ethyl]-4-methylphenyl]-6-(hydroxymethyl)oxane-3,4,5-triol;4-(4-methylphenyl)-2-(2-propyl-4-pyridinyl)-1,3-thiazole;2-methyl-2-[(3E,7E)-4,8,12-trimethyltrideca-3,7,11-trienyl]-3,4-dihydrochromen-6-ol;4-nitrooxybutyl (3R,5R)-7-[2-(4-fluorophenyl)-3-phenyl-4-(2-phenylacetyl)-5-propan-2-ylpyrrol-1-yl]-3,5-dihydroxyheptanoate

C187H231F6N9O37S4 — CID 157081014

About acetonitrile;[(4E)-4-[2-[(1R,5R,6R,8aS)-6-hydroxy-5-(hydroxymethyl)-5,8a-dimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]ethylidene]-5-oxooxolan-3-yl] 5-(dithiolan-3-yl)pentanoate;ethyl [(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[5-methyl-1-propan-2-yl-4-[(4-propan-2-yloxyphenyl)methyl]pyrazol-3-yl]oxyoxan-2-yl]methyl carbonate;2-[[(1S)-1-[3-fluoro-5-[[5-methyl-2-[4-(trifluoromethoxy)phenyl]-1,3-oxazol-4-yl]methoxy]phenyl]ethyl]-methoxycarbonylamino]acetic acid;(2S,3R,4R,5S,6R)-2-[3-[1-[5-(4-fluorophenyl)thiophen-2-yl]ethyl]-4-methylphenyl]-6-(hydroxymethyl)oxane-3,4,5-triol;4-(4-methylphenyl)-2-(2-propyl-4-pyridinyl)-1,3-thiazole;2-methyl-2-[(3E,7E)-4,8,12-trimethyltrideca-3,7,11-trienyl]-3,4-dihydrochromen-6-ol;4-nitrooxybutyl (3R,5R)-7-[2-(4-fluorophenyl)-3-phenyl-4-(2-phenylacetyl)-5-propan-2-ylpyrrol-1-yl]-3,5-dihydroxyheptanoate

acetonitrile;[(4E)-4-[2-[(1R,5R,6R,8aS)-6-hydroxy-5-(hydroxymethyl)-5,8a-dimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]ethylidene]-5-oxooxolan-3-yl] 5-(dithiolan-3-yl)pentanoate;ethyl [(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[5-methyl-1-propan-2-yl-4-[(4-propan-2-yloxyphenyl)methyl]pyrazol-3-yl]oxyoxan-2-yl]methyl carbonate;2-[[(1S)-1-[3-fluoro-5-[[5-methyl-2-[4-(trifluoromethoxy)phenyl]-1,3-oxazol-4-yl]methoxy]phenyl]ethyl]-methoxycarbonylamino]acetic acid;(2S,3R,4R,5S,6R)-2-[3-[1-[5-(4-fluorophenyl)thiophen-2-yl]ethyl]-4-methylphenyl]-6-(hydroxymethyl)oxane-3,4,5-triol;4-(4-methylphenyl)-2-(2-propyl-4-pyridinyl)-1,3-thiazole;2-methyl-2-[(3E,7E)-4,8,12-trimethyltrideca-3,7,11-trienyl]-3,4-dihydrochromen-6-ol;4-nitrooxybutyl (3R,5R)-7-[2-(4-fluorophenyl)-3-phenyl-4-(2-phenylacetyl)-5-propan-2-ylpyrrol-1-yl]-3,5-dihydroxyheptanoate (PubChem CID 157081014) has the molecular formula C187H231F6N9O37S4 and a molecular weight of 3439.19 g/mol. Its IUPAC name is acetonitrile;[(4E)-4-[2-[(1R,5R,6R,8aS)-6-hydroxy-5-(hydroxymethyl)-5,8a-dimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]ethylidene]-5-oxooxolan-3-yl] 5-(dithiolan-3-yl)pentanoate;ethyl [(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[5-methyl-1-propan-2-yl-4-[(4-propan-2-yloxyphenyl)methyl]pyrazol-3-yl]oxyoxan-2-yl]methyl carbonate;2-[[(1S)-1-[3-fluoro-5-[[5-methyl-2-[4-(trifluoromethoxy)phenyl]-1,3-oxazol-4-yl]methoxy]phenyl]ethyl]-methoxycarbonylamino]acetic acid;(2S,3R,4R,5S,6R)-2-[3-[1-[5-(4-fluorophenyl)thiophen-2-yl]ethyl]-4-methylphenyl]-6-(hydroxymethyl)oxane-3,4,5-triol;4-(4-methylphenyl)-2-(2-propyl-4-pyridinyl)-1,3-thiazole;2-methyl-2-[(3E,7E)-4,8,12-trimethyltrideca-3,7,11-trienyl]-3,4-dihydrochromen-6-ol;4-nitrooxybutyl (3R,5R)-7-[2-(4-fluorophenyl)-3-phenyl-4-(2-phenylacetyl)-5-propan-2-ylpyrrol-1-yl]-3,5-dihydroxyheptanoate.

Molecular Properties

• Compound Name: acetonitrile;[(4E)-4-[2-[(1R,5R,6R,8aS)-6-hydroxy-5-(hydroxymethyl)-5,8a-dimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]ethylidene]-5-oxooxolan-3-yl] 5-(dithiolan-3-yl)pentanoate;ethyl [(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[5-methyl-1-propan-2-yl-4-[(4-propan-2-yloxyphenyl)methyl]pyrazol-3-yl]oxyoxan-2-yl]methyl carbonate;2-[[(1S)-1-[3-fluoro-5-[[5-methyl-2-[4-(trifluoromethoxy)phenyl]-1,3-oxazol-4-yl]methoxy]phenyl]ethyl]-methoxycarbonylamino]acetic acid;(2S,3R,4R,5S,6R)-2-[3-[1-[5-(4-fluorophenyl)thiophen-2-yl]ethyl]-4-methylphenyl]-6-(hydroxymethyl)oxane-3,4,5-triol;4-(4-methylphenyl)-2-(2-propyl-4-pyridinyl)-1,3-thiazole;2-methyl-2-[(3E,7E)-4,8,12-trimethyltrideca-3,7,11-trienyl]-3,4-dihydrochromen-6-ol;4-nitrooxybutyl (3R,5R)-7-[2-(4-fluorophenyl)-3-phenyl-4-(2-phenylacetyl)-5-propan-2-ylpyrrol-1-yl]-3,5-dihydroxyheptanoate
• PubChem CID: 157081014
• Molecular Formula: C187H231F6N9O37S4
• Molecular Weight: 3439.19 g/mol
• Exact Mass: 3436.53
• IUPAC Name: acetonitrile;[(4E)-4-[2-[(1R,5R,6R,8aS)-6-hydroxy-5-(hydroxymethyl)-5,8a-dimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]ethylidene]-5-oxooxolan-3-yl] 5-(dithiolan-3-yl)pentanoate;ethyl [(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[5-methyl-1-propan-2-yl-4-[(4-propan-2-yloxyphenyl)methyl]pyrazol-3-yl]oxyoxan-2-yl]methyl carbonate;2-[[(1S)-1-[3-fluoro-5-[[5-methyl-2-[4-(trifluoromethoxy)phenyl]-1,3-oxazol-4-yl]methoxy]phenyl]ethyl]-methoxycarbonylamino]acetic acid;(2S,3R,4R,5S,6R)-2-[3-[1-[5-(4-fluorophenyl)thiophen-2-yl]ethyl]-4-methylphenyl]-6-(hydroxymethyl)oxane-3,4,5-triol;4-(4-methylphenyl)-2-(2-propyl-4-pyridinyl)-1,3-thiazole;2-methyl-2-[(3E,7E)-4,8,12-trimethyltrideca-3,7,11-trienyl]-3,4-dihydrochromen-6-ol;4-nitrooxybutyl (3R,5R)-7-[2-(4-fluorophenyl)-3-phenyl-4-(2-phenylacetyl)-5-propan-2-ylpyrrol-1-yl]-3,5-dihydroxyheptanoate
• SMILES: C=C1CCC2[C@](C)(CO)[C@H](O)CC[C@@]2(C)[C@@H]1C/C=C1/C(=O)OCC1OC(=O)CCCCC1CCSS1.CC#N.CC(C)=CCC/C(C)=C/CC/C(C)=C/CCC1(C)CCc2cc(O)ccc2O1.CC(C)c1c(C(=O)Cc2ccccc2)c(-c2ccccc2)c(-c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)OCCCCO[N+](=O)[O-].CCCc1cc(-c2nc(-c3ccc(C)cc3)cs2)ccn1.CCOC(=O)OC[C@H]1O[C@@H](Oc2nn(C(C)C)c(C)c2Cc2ccc(OC(C)C)cc2)[C@H](O)[C@@H](O)[C@@H]1O.COC(=O)N(CC(=O)O)[C@@H](C)c1cc(F)cc(OCc2nc(-c3ccc(OC(F)(F)F)cc3)oc2C)c1.Cc1ccc([C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)C2O)cc1C(C)c1ccc(-c2ccc(F)cc2)s1
• InChI: InChI=1S/C38H43FN2O8.C28H42O6S2.C26H38N2O9.C26H38O2.C25H27FO5S.C24H22F4N2O7.C18H18N2S.C2H3N/c1-26(2)37-36(33(44)23-27-11-5-3-6-12-27)35(28-13-7-4-8-14-28)38(29-15-17-30(39)18-16-29)40(37)20-19-31(42)24-32(43)25-34(45)48-21-9-10-22-49-41(46)47;1-18-8-11-23-27(2,14-12-24(30)28(23,3)17-29)21(18)10-9-20-22(16-33-26(20)32)34-25(31)7-5-4-6-19-13-15-35-36-19;1-7-33-26(32)34-13-20-21(29)22(30)23(31)25(36-20)37-24-19(16(6)28(27-24)14(2)3)12-17-8-10-18(11-9-17)35-15(4)5;1-20(2)9-6-10-21(3)11-7-12-22(4)13-8-17-26(5)18-16-23-19-24(27)14-15-25(23)28-26;1-13-3-4-16(25-24(30)23(29)22(28)19(12-27)31-25)11-18(13)14(2)20-9-10-21(32-20)15-5-7-17(26)8-6-15;1-13(30(11-21(31)32)23(33)34-3)16-8-17(25)10-19(9-16)35-12-20-14(2)36-22(29-20)15-4-6-18(7-5-15)37-24(26,27)28;1-3-4-16-11-15(9-10-19-16)18-20-17(12-21-18)14-7-5-13(2)6-8-14;1-2-3/h3-8,11-18,26,31-32,42-43H,9-10,19-25H2,1-2H3;9,19,21-24,29-30H,1,4-8,10-17H2,2-3H3;8-11,14-15,20-23,25,29-31H,7,12-13H2,1-6H3;9,11,13-15,19,27H,6-8,10,12,16-18H2,1-5H3;3-11,14,19,22-25,27-30H,12H2,1-2H3;4-10,13H,11-12H2,1-3H3,(H,31,32);5-12H,3-4H2,1-2H3;1H3/b;20-9+;;21-11+,22-13+;;;;/t31-,32-;19?,21-,22?,23?,24-,27+,28+;20-,21-,22+,23-,25+;;14?,19-,22-,23+,24?,25+;13-;;/m111.10../s1
• InChIKey: ADNQJXGHTSQCHW-OKNZGDKMSA-N
• XLogP: 37.02
• TPSA: 656.43 Ų
• H-Bond Donors: 13
• H-Bond Acceptors: 47
• Rotatable Bonds: 65
• Heavy Atoms: 243
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3439.19
LogP ≤ 5	37.02
H-Bond Donors ≤ 5	13
H-Bond Acceptors ≤ 10	47

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'disulphide', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of acetonitrile;[(4E)-4-[2-[(1R,5R,6R,8aS)-6-hydroxy-5-(hydroxymethyl)-5,8a-dimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]ethylidene]-5-oxooxolan-3-yl] 5-(dithiolan-3-yl)pentanoate;ethyl [(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[5-methyl-1-propan-2-yl-4-[(4-propan-2-yloxyphenyl)methyl]pyrazol-3-yl]oxyoxan-2-yl]methyl carbonate;2-[[(1S)-1-[3-fluoro-5-[[5-methyl-2-[4-(trifluoromethoxy)phenyl]-1,3-oxazol-4-yl]methoxy]phenyl]ethyl]-methoxycarbonylamino]acetic acid;(2S,3R,4R,5S,6R)-2-[3-[1-[5-(4-fluorophenyl)thiophen-2-yl]ethyl]-4-methylphenyl]-6-(hydroxymethyl)oxane-3,4,5-triol;4-(4-methylphenyl)-2-(2-propyl-4-pyridinyl)-1,3-thiazole;2-methyl-2-[(3E,7E)-4,8,12-trimethyltrideca-3,7,11-trienyl]-3,4-dihydrochromen-6-ol;4-nitrooxybutyl (3R,5R)-7-[2-(4-fluorophenyl)-3-phenyl-4-(2-phenylacetyl)-5-propan-2-ylpyrrol-1-yl]-3,5-dihydroxyheptanoate?

The IUPAC name of acetonitrile;[(4E)-4-[2-[(1R,5R,6R,8aS)-6-hydroxy-5-(hydroxymethyl)-5,8a-dimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]ethylidene]-5-oxooxolan-3-yl] 5-(dithiolan-3-yl)pentanoate;ethyl [(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[5-methyl-1-propan-2-yl-4-[(4-propan-2-yloxyphenyl)methyl]pyrazol-3-yl]oxyoxan-2-yl]methyl carbonate;2-[[(1S)-1-[3-fluoro-5-[[5-methyl-2-[4-(trifluoromethoxy)phenyl]-1,3-oxazol-4-yl]methoxy]phenyl]ethyl]-methoxycarbonylamino]acetic acid;(2S,3R,4R,5S,6R)-2-[3-[1-[5-(4-fluorophenyl)thiophen-2-yl]ethyl]-4-methylphenyl]-6-(hydroxymethyl)oxane-3,4,5-triol;4-(4-methylphenyl)-2-(2-propyl-4-pyridinyl)-1,3-thiazole;2-methyl-2-[(3E,7E)-4,8,12-trimethyltrideca-3,7,11-trienyl]-3,4-dihydrochromen-6-ol;4-nitrooxybutyl (3R,5R)-7-[2-(4-fluorophenyl)-3-phenyl-4-(2-phenylacetyl)-5-propan-2-ylpyrrol-1-yl]-3,5-dihydroxyheptanoate (CID 157081014) is acetonitrile;[(4E)-4-[2-[(1R,5R,6R,8aS)-6-hydroxy-5-(hydroxymethyl)-5,8a-dimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]ethylidene]-5-oxooxolan-3-yl] 5-(dithiolan-3-yl)pentanoate;ethyl [(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[5-methyl-1-propan-2-yl-4-[(4-propan-2-yloxyphenyl)methyl]pyrazol-3-yl]oxyoxan-2-yl]methyl carbonate;2-[[(1S)-1-[3-fluoro-5-[[5-methyl-2-[4-(trifluoromethoxy)phenyl]-1,3-oxazol-4-yl]methoxy]phenyl]ethyl]-methoxycarbonylamino]acetic acid;(2S,3R,4R,5S,6R)-2-[3-[1-[5-(4-fluorophenyl)thiophen-2-yl]ethyl]-4-methylphenyl]-6-(hydroxymethyl)oxane-3,4,5-triol;4-(4-methylphenyl)-2-(2-propyl-4-pyridinyl)-1,3-thiazole;2-methyl-2-[(3E,7E)-4,8,12-trimethyltrideca-3,7,11-trienyl]-3,4-dihydrochromen-6-ol;4-nitrooxybutyl (3R,5R)-7-[2-(4-fluorophenyl)-3-phenyl-4-(2-phenylacetyl)-5-propan-2-ylpyrrol-1-yl]-3,5-dihydroxyheptanoate.

What is the SMILES notation for acetonitrile;[(4E)-4-[2-[(1R,5R,6R,8aS)-6-hydroxy-5-(hydroxymethyl)-5,8a-dimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]ethylidene]-5-oxooxolan-3-yl] 5-(dithiolan-3-yl)pentanoate;ethyl [(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[5-methyl-1-propan-2-yl-4-[(4-propan-2-yloxyphenyl)methyl]pyrazol-3-yl]oxyoxan-2-yl]methyl carbonate;2-[[(1S)-1-[3-fluoro-5-[[5-methyl-2-[4-(trifluoromethoxy)phenyl]-1,3-oxazol-4-yl]methoxy]phenyl]ethyl]-methoxycarbonylamino]acetic acid;(2S,3R,4R,5S,6R)-2-[3-[1-[5-(4-fluorophenyl)thiophen-2-yl]ethyl]-4-methylphenyl]-6-(hydroxymethyl)oxane-3,4,5-triol;4-(4-methylphenyl)-2-(2-propyl-4-pyridinyl)-1,3-thiazole;2-methyl-2-[(3E,7E)-4,8,12-trimethyltrideca-3,7,11-trienyl]-3,4-dihydrochromen-6-ol;4-nitrooxybutyl (3R,5R)-7-[2-(4-fluorophenyl)-3-phenyl-4-(2-phenylacetyl)-5-propan-2-ylpyrrol-1-yl]-3,5-dihydroxyheptanoate?

The canonical SMILES for acetonitrile;[(4E)-4-[2-[(1R,5R,6R,8aS)-6-hydroxy-5-(hydroxymethyl)-5,8a-dimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]ethylidene]-5-oxooxolan-3-yl] 5-(dithiolan-3-yl)pentanoate;ethyl [(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[5-methyl-1-propan-2-yl-4-[(4-propan-2-yloxyphenyl)methyl]pyrazol-3-yl]oxyoxan-2-yl]methyl carbonate;2-[[(1S)-1-[3-fluoro-5-[[5-methyl-2-[4-(trifluoromethoxy)phenyl]-1,3-oxazol-4-yl]methoxy]phenyl]ethyl]-methoxycarbonylamino]acetic acid;(2S,3R,4R,5S,6R)-2-[3-[1-[5-(4-fluorophenyl)thiophen-2-yl]ethyl]-4-methylphenyl]-6-(hydroxymethyl)oxane-3,4,5-triol;4-(4-methylphenyl)-2-(2-propyl-4-pyridinyl)-1,3-thiazole;2-methyl-2-[(3E,7E)-4,8,12-trimethyltrideca-3,7,11-trienyl]-3,4-dihydrochromen-6-ol;4-nitrooxybutyl (3R,5R)-7-[2-(4-fluorophenyl)-3-phenyl-4-(2-phenylacetyl)-5-propan-2-ylpyrrol-1-yl]-3,5-dihydroxyheptanoate is C=C1CCC2[C@](C)(CO)[C@H](O)CC[C@@]2(C)[C@@H]1C/C=C1/C(=O)OCC1OC(=O)CCCCC1CCSS1.CC#N.CC(C)=CCC/C(C)=C/CC/C(C)=C/CCC1(C)CCc2cc(O)ccc2O1.CC(C)c1c(C(=O)Cc2ccccc2)c(-c2ccccc2)c(-c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)OCCCCO[N+](=O)[O-].CCCc1cc(-c2nc(-c3ccc(C)cc3)cs2)ccn1.CCOC(=O)OC[C@H]1O[C@@H](Oc2nn(C(C)C)c(C)c2Cc2ccc(OC(C)C)cc2)[C@H](O)[C@@H](O)[C@@H]1O.COC(=O)N(CC(=O)O)[C@@H](C)c1cc(F)cc(OCc2nc(-c3ccc(OC(F)(F)F)cc3)oc2C)c1.Cc1ccc([C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)C2O)cc1C(C)c1ccc(-c2ccc(F)cc2)s1.

What is the InChIKey of acetonitrile;[(4E)-4-[2-[(1R,5R,6R,8aS)-6-hydroxy-5-(hydroxymethyl)-5,8a-dimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]ethylidene]-5-oxooxolan-3-yl] 5-(dithiolan-3-yl)pentanoate;ethyl [(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[5-methyl-1-propan-2-yl-4-[(4-propan-2-yloxyphenyl)methyl]pyrazol-3-yl]oxyoxan-2-yl]methyl carbonate;2-[[(1S)-1-[3-fluoro-5-[[5-methyl-2-[4-(trifluoromethoxy)phenyl]-1,3-oxazol-4-yl]methoxy]phenyl]ethyl]-methoxycarbonylamino]acetic acid;(2S,3R,4R,5S,6R)-2-[3-[1-[5-(4-fluorophenyl)thiophen-2-yl]ethyl]-4-methylphenyl]-6-(hydroxymethyl)oxane-3,4,5-triol;4-(4-methylphenyl)-2-(2-propyl-4-pyridinyl)-1,3-thiazole;2-methyl-2-[(3E,7E)-4,8,12-trimethyltrideca-3,7,11-trienyl]-3,4-dihydrochromen-6-ol;4-nitrooxybutyl (3R,5R)-7-[2-(4-fluorophenyl)-3-phenyl-4-(2-phenylacetyl)-5-propan-2-ylpyrrol-1-yl]-3,5-dihydroxyheptanoate?

The InChIKey is ADNQJXGHTSQCHW-OKNZGDKMSA-N. The full InChI is InChI=1S/C38H43FN2O8.C28H42O6S2.C26H38N2O9.C26H38O2.C25H27FO5S.C24H22F4N2O7.C18H18N2S.C2H3N/c1-26(2)37-36(33(44)23-27-11-5-3-6-12-27)35(28-13-7-4-8-14-28)38(29-15-17-30(39)18-16-29)40(37)20-19-31(42)24-32(43)25-34(45)48-21-9-10-22-49-41(46)47;1-18-8-11-23-27(2,14-12-24(30)28(23,3)17-29)21(18)10-9-20-22(16-33-26(20)32)34-25(31)7-5-4-6-19-13-15-35-36-19;1-7-33-26(32)34-13-20-21(29)22(30)23(31)25(36-20)37-24-19(16(6)28(27-24)14(2)3)12-17-8-10-18(11-9-17)35-15(4)5;1-20(2)9-6-10-21(3)11-7-12-22(4)13-8-17-26(5)18-16-23-19-24(27)14-15-25(23)28-26;1-13-3-4-16(25-24(30)23(29)22(28)19(12-27)31-25)11-18(13)14(2)20-9-10-21(32-20)15-5-7-17(26)8-6-15;1-13(30(11-21(31)32)23(33)34-3)16-8-17(25)10-19(9-16)35-12-20-14(2)36-22(29-20)15-4-6-18(7-5-15)37-24(26,27)28;1-3-4-16-11-15(9-10-19-16)18-20-17(12-21-18)14-7-5-13(2)6-8-14;1-2-3/h3-8,11-18,26,31-32,42-43H,9-10,19-25H2,1-2H3;9,19,21-24,29-30H,1,4-8,10-17H2,2-3H3;8-11,14-15,20-23,25,29-31H,7,12-13H2,1-6H3;9,11,13-15,19,27H,6-8,10,12,16-18H2,1-5H3;3-11,14,19,22-25,27-30H,12H2,1-2H3;4-10,13H,11-12H2,1-3H3,(H,31,32);5-12H,3-4H2,1-2H3;1H3/b;20-9+;;21-11+,22-13+;;;;/t31-,32-;19?,21-,22?,23?,24-,27+,28+;20-,21-,22+,23-,25+;;14?,19-,22-,23+,24?,25+;13-;;/m111.10../s1.

What are the key properties of acetonitrile;[(4E)-4-[2-[(1R,5R,6R,8aS)-6-hydroxy-5-(hydroxymethyl)-5,8a-dimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]ethylidene]-5-oxooxolan-3-yl] 5-(dithiolan-3-yl)pentanoate;ethyl [(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[5-methyl-1-propan-2-yl-4-[(4-propan-2-yloxyphenyl)methyl]pyrazol-3-yl]oxyoxan-2-yl]methyl carbonate;2-[[(1S)-1-[3-fluoro-5-[[5-methyl-2-[4-(trifluoromethoxy)phenyl]-1,3-oxazol-4-yl]methoxy]phenyl]ethyl]-methoxycarbonylamino]acetic acid;(2S,3R,4R,5S,6R)-2-[3-[1-[5-(4-fluorophenyl)thiophen-2-yl]ethyl]-4-methylphenyl]-6-(hydroxymethyl)oxane-3,4,5-triol;4-(4-methylphenyl)-2-(2-propyl-4-pyridinyl)-1,3-thiazole;2-methyl-2-[(3E,7E)-4,8,12-trimethyltrideca-3,7,11-trienyl]-3,4-dihydrochromen-6-ol;4-nitrooxybutyl (3R,5R)-7-[2-(4-fluorophenyl)-3-phenyl-4-(2-phenylacetyl)-5-propan-2-ylpyrrol-1-yl]-3,5-dihydroxyheptanoate?

acetonitrile;[(4E)-4-[2-[(1R,5R,6R,8aS)-6-hydroxy-5-(hydroxymethyl)-5,8a-dimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]ethylidene]-5-oxooxolan-3-yl] 5-(dithiolan-3-yl)pentanoate;ethyl [(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[5-methyl-1-propan-2-yl-4-[(4-propan-2-yloxyphenyl)methyl]pyrazol-3-yl]oxyoxan-2-yl]methyl carbonate;2-[[(1S)-1-[3-fluoro-5-[[5-methyl-2-[4-(trifluoromethoxy)phenyl]-1,3-oxazol-4-yl]methoxy]phenyl]ethyl]-methoxycarbonylamino]acetic acid;(2S,3R,4R,5S,6R)-2-[3-[1-[5-(4-fluorophenyl)thiophen-2-yl]ethyl]-4-methylphenyl]-6-(hydroxymethyl)oxane-3,4,5-triol;4-(4-methylphenyl)-2-(2-propyl-4-pyridinyl)-1,3-thiazole;2-methyl-2-[(3E,7E)-4,8,12-trimethyltrideca-3,7,11-trienyl]-3,4-dihydrochromen-6-ol;4-nitrooxybutyl (3R,5R)-7-[2-(4-fluorophenyl)-3-phenyl-4-(2-phenylacetyl)-5-propan-2-ylpyrrol-1-yl]-3,5-dihydroxyheptanoate has a molecular weight of 3439.19 g/mol, XLogP of 37.02, 65 rotatable bonds, 13 hydrogen bond donors, and 47 hydrogen bond acceptors.

Where does this data come from?

All data for acetonitrile;[(4E)-4-[2-[(1R,5R,6R,8aS)-6-hydroxy-5-(hydroxymethyl)-5,8a-dimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]ethylidene]-5-oxooxolan-3-yl] 5-(dithiolan-3-yl)pentanoate;ethyl [(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[5-methyl-1-propan-2-yl-4-[(4-propan-2-yloxyphenyl)methyl]pyrazol-3-yl]oxyoxan-2-yl]methyl carbonate;2-[[(1S)-1-[3-fluoro-5-[[5-methyl-2-[4-(trifluoromethoxy)phenyl]-1,3-oxazol-4-yl]methoxy]phenyl]ethyl]-methoxycarbonylamino]acetic acid;(2S,3R,4R,5S,6R)-2-[3-[1-[5-(4-fluorophenyl)thiophen-2-yl]ethyl]-4-methylphenyl]-6-(hydroxymethyl)oxane-3,4,5-triol;4-(4-methylphenyl)-2-(2-propyl-4-pyridinyl)-1,3-thiazole;2-methyl-2-[(3E,7E)-4,8,12-trimethyltrideca-3,7,11-trienyl]-3,4-dihydrochromen-6-ol;4-nitrooxybutyl (3R,5R)-7-[2-(4-fluorophenyl)-3-phenyl-4-(2-phenylacetyl)-5-propan-2-ylpyrrol-1-yl]-3,5-dihydroxyheptanoate is sourced from PubChem (CID 157081014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).