lithium;1-benzyl-7-bromo-3,4-dihydro-2H-quinoline;1-benzyl-7-[(5-bromo-2-propan-2-ylphenyl)methyl]-3,4-dihydro-2H-quinoline;(2S,3R,4R,5S,6R)-2-[3-[(1-benzyl-3,4-dihydro-2H-quinolin-7-yl)methyl]-4-propan-2-ylphenyl]-6-(hydroxymethyl)oxane-3,4,5-triol;bromomethylbenzene;5-bromo-2-propan-2-ylbenzaldehyde;7-bromo-1,2,3,4-tetrahydroquinoline;butane;(2R,3S,4R,5R,6S)-2-(hydroxymethyl)-6-[4-propan-2-yl-3-(1,2,3,4-tetrahydroquinolin-7-ylmethyl)phenyl]oxane-3,4,5-triol;molecular iodine;(3R,5R)-3,4,5-tris(trimethylsilyloxy)-6-(trimethylsilyloxymethyl)oxan-2-one

C147H195Br5I2LiN5O17Si4 — CID 160535339

IUPAClithium;1-benzyl-7-bromo-3,4-dihydro-2H-quinoline;1-benzyl-7-[(5-bromo-2-propan-2-ylphenyl)methyl]-3,4-dihydro-2H-quinoline;(2S,3R,4R,5S,6R)-2-[3-[(1-benzyl-3,4-dihydro-2H-quinolin-7-yl)methyl]-4-propan-2-ylphenyl]-6-(hydroxymethyl)oxane-3,4,5-triol;bromomethylbenzene;5-bromo-2-propan-2-ylbenzaldehyde;7-bromo-1,2,3,4-tetrahydroquinoline;butane;(2R,3S,4R,5R,6S)-2-(hydroxymethyl)-6-[4-propan-2-yl-3-(1,2,3,4-tetrahydroquinolin-7-ylmethyl)phenyl]oxane-3,4,5-triol;molecular iodine;(3R,5R)-3,4,5-tris(trimethylsilyloxy)-6-(trimethylsilyloxymethyl)oxan-2-one
SMILESBrCc1ccccc1.Brc1ccc2c(c1)N(Cc1ccccc1)CCC2.Brc1ccc2c(c1)NCCC2.CC(C)c1ccc(Br)cc1C=O.CC(C)c1ccc(Br)cc1Cc1ccc2c(c1)N(Cc1ccccc1)CCC2.CC(C)c1ccc([C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)C2O)cc1Cc1ccc2c(c1)NCCC2.CC(C)c1ccc([C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1Cc1ccc2c(c1)N(Cc1ccccc1)CCC2.C[Si](C)(C)OCC1OC(=O)[C@H](O[Si](C)(C)C)C(O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C.II.[CH2-]CCC.[Li+]
InChIInChI=1S/C32H39NO5.C26H28BrN.C25H33NO5.C18H42O6Si4.C16H16BrN.C10H11BrO.C9H10BrN.C7H7Br.C4H9.I2.Li/c1-20(2)26-13-12-24(32-31(37)30(36)29(35)28(19-34)38-32)17-25(26)15-22-10-11-23-9-6-14-33(27(23)16-22)18-21-7-4-3-5-8-21;1-19(2)25-13-12-24(27)17-23(25)15-21-10-11-22-9-6-14-28(26(22)16-21)18-20-7-4-3-5-8-20;1-14(2)19-8-7-17(25-24(30)23(29)22(28)21(13-27)31-25)12-18(19)10-15-5-6-16-4-3-9-26-20(16)11-15;1-25(2,3)20-13-14-15(22-26(4,5)6)16(23-27(7,8)9)17(18(19)21-14)24-28(10,11)12;17-15-9-8-14-7-4-10-18(16(14)11-15)12-13-5-2-1-3-6-13;1-7(2)10-4-3-9(11)5-8(10)6-12;10-8-4-3-7-2-1-5-11-9(7)6-8;8-6-7-4-2-1-3-5-7;1-3-4-2;1-2;/h3-5,7-8,10-13,16-17,20,28-32,34-37H,6,9,14-15,18-19H2,1-2H3;3-5,7-8,10-13,16-17,19H,6,9,14-15,18H2,1-2H3;5-8,11-12,14,21-30H,3-4,9-10,13H2,1-2H3;14-17H,13H2,1-12H3;1-3,5-6,8-9,11H,4,7,10,12H2;3-7H,1-2H3;3-4,6,11H,1-2,5H2;1-5H,6H2;1,3-4H2,2H3;;/q;;;;;;;;-1;;+1/t28-,29-,30+,31-,32+;;21-,22-,23+,24?,25+;14?,15-,16?,17-;;;;;;;/m1.11......./s1
InChIKeyVXEPPBMGAMNWHJ-XABCHKMISA-N
MW3076.81 g/mol
LogP31.25
Rot. Bonds32

About lithium;1-benzyl-7-bromo-3,4-dihydro-2H-quinoline;1-benzyl-7-[(5-bromo-2-propan-2-ylphenyl)methyl]-3,4-dihydro-2H-quinoline;(2S,3R,4R,5S,6R)-2-[3-[(1-benzyl-3,4-dihydro-2H-quinolin-7-yl)methyl]-4-propan-2-ylphenyl]-6-(hydroxymethyl)oxane-3,4,5-triol;bromomethylbenzene;5-bromo-2-propan-2-ylbenzaldehyde;7-bromo-1,2,3,4-tetrahydroquinoline;butane;(2R,3S,4R,5R,6S)-2-(hydroxymethyl)-6-[4-propan-2-yl-3-(1,2,3,4-tetrahydroquinolin-7-ylmethyl)phenyl]oxane-3,4,5-triol;molecular iodine;(3R,5R)-3,4,5-tris(trimethylsilyloxy)-6-(trimethylsilyloxymethyl)oxan-2-one

lithium;1-benzyl-7-bromo-3,4-dihydro-2H-quinoline;1-benzyl-7-[(5-bromo-2-propan-2-ylphenyl)methyl]-3,4-dihydro-2H-quinoline;(2S,3R,4R,5S,6R)-2-[3-[(1-benzyl-3,4-dihydro-2H-quinolin-7-yl)methyl]-4-propan-2-ylphenyl]-6-(hydroxymethyl)oxane-3,4,5-triol;bromomethylbenzene;5-bromo-2-propan-2-ylbenzaldehyde;7-bromo-1,2,3,4-tetrahydroquinoline;butane;(2R,3S,4R,5R,6S)-2-(hydroxymethyl)-6-[4-propan-2-yl-3-(1,2,3,4-tetrahydroquinolin-7-ylmethyl)phenyl]oxane-3,4,5-triol;molecular iodine;(3R,5R)-3,4,5-tris(trimethylsilyloxy)-6-(trimethylsilyloxymethyl)oxan-2-one (PubChem CID 160535339) has the molecular formula C147H195Br5I2LiN5O17Si4 and a molecular weight of 3076.81 g/mol. Its IUPAC name is lithium;1-benzyl-7-bromo-3,4-dihydro-2H-quinoline;1-benzyl-7-[(5-bromo-2-propan-2-ylphenyl)methyl]-3,4-dihydro-2H-quinoline;(2S,3R,4R,5S,6R)-2-[3-[(1-benzyl-3,4-dihydro-2H-quinolin-7-yl)methyl]-4-propan-2-ylphenyl]-6-(hydroxymethyl)oxane-3,4,5-triol;bromomethylbenzene;5-bromo-2-propan-2-ylbenzaldehyde;7-bromo-1,2,3,4-tetrahydroquinoline;butane;(2R,3S,4R,5R,6S)-2-(hydroxymethyl)-6-[4-propan-2-yl-3-(1,2,3,4-tetrahydroquinolin-7-ylmethyl)phenyl]oxane-3,4,5-triol;molecular iodine;(3R,5R)-3,4,5-tris(trimethylsilyloxy)-6-(trimethylsilyloxymethyl)oxan-2-one.

Molecular Properties

Compound Namelithium;1-benzyl-7-bromo-3,4-dihydro-2H-quinoline;1-benzyl-7-[(5-bromo-2-propan-2-ylphenyl)methyl]-3,4-dihydro-2H-quinoline;(2S,3R,4R,5S,6R)-2-[3-[(1-benzyl-3,4-dihydro-2H-quinolin-7-yl)methyl]-4-propan-2-ylphenyl]-6-(hydroxymethyl)oxane-3,4,5-triol;bromomethylbenzene;5-bromo-2-propan-2-ylbenzaldehyde;7-bromo-1,2,3,4-tetrahydroquinoline;butane;(2R,3S,4R,5R,6S)-2-(hydroxymethyl)-6-[4-propan-2-yl-3-(1,2,3,4-tetrahydroquinolin-7-ylmethyl)phenyl]oxane-3,4,5-triol;molecular iodine;(3R,5R)-3,4,5-tris(trimethylsilyloxy)-6-(trimethylsilyloxymethyl)oxan-2-one
PubChem CID160535339
Molecular FormulaC147H195Br5I2LiN5O17Si4
Molecular Weight3076.81 g/mol
Exact Mass3069.78
IUPAC Namelithium;1-benzyl-7-bromo-3,4-dihydro-2H-quinoline;1-benzyl-7-[(5-bromo-2-propan-2-ylphenyl)methyl]-3,4-dihydro-2H-quinoline;(2S,3R,4R,5S,6R)-2-[3-[(1-benzyl-3,4-dihydro-2H-quinolin-7-yl)methyl]-4-propan-2-ylphenyl]-6-(hydroxymethyl)oxane-3,4,5-triol;bromomethylbenzene;5-bromo-2-propan-2-ylbenzaldehyde;7-bromo-1,2,3,4-tetrahydroquinoline;butane;(2R,3S,4R,5R,6S)-2-(hydroxymethyl)-6-[4-propan-2-yl-3-(1,2,3,4-tetrahydroquinolin-7-ylmethyl)phenyl]oxane-3,4,5-triol;molecular iodine;(3R,5R)-3,4,5-tris(trimethylsilyloxy)-6-(trimethylsilyloxymethyl)oxan-2-one
SMILESBrCc1ccccc1.Brc1ccc2c(c1)N(Cc1ccccc1)CCC2.Brc1ccc2c(c1)NCCC2.CC(C)c1ccc(Br)cc1C=O.CC(C)c1ccc(Br)cc1Cc1ccc2c(c1)N(Cc1ccccc1)CCC2.CC(C)c1ccc([C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)C2O)cc1Cc1ccc2c(c1)NCCC2.CC(C)c1ccc([C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1Cc1ccc2c(c1)N(Cc1ccccc1)CCC2.C[Si](C)(C)OCC1OC(=O)[C@H](O[Si](C)(C)C)C(O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C.II.[CH2-]CCC.[Li+]
InChIInChI=1S/C32H39NO5.C26H28BrN.C25H33NO5.C18H42O6Si4.C16H16BrN.C10H11BrO.C9H10BrN.C7H7Br.C4H9.I2.Li/c1-20(2)26-13-12-24(32-31(37)30(36)29(35)28(19-34)38-32)17-25(26)15-22-10-11-23-9-6-14-33(27(23)16-22)18-21-7-4-3-5-8-21;1-19(2)25-13-12-24(27)17-23(25)15-21-10-11-22-9-6-14-28(26(22)16-21)18-20-7-4-3-5-8-20;1-14(2)19-8-7-17(25-24(30)23(29)22(28)21(13-27)31-25)12-18(19)10-15-5-6-16-4-3-9-26-20(16)11-15;1-25(2,3)20-13-14-15(22-26(4,5)6)16(23-27(7,8)9)17(18(19)21-14)24-28(10,11)12;17-15-9-8-14-7-4-10-18(16(14)11-15)12-13-5-2-1-3-6-13;1-7(2)10-4-3-9(11)5-8(10)6-12;10-8-4-3-7-2-1-5-11-9(7)6-8;8-6-7-4-2-1-3-5-7;1-3-4-2;1-2;/h3-5,7-8,10-13,16-17,20,28-32,34-37H,6,9,14-15,18-19H2,1-2H3;3-5,7-8,10-13,16-17,19H,6,9,14-15,18H2,1-2H3;5-8,11-12,14,21-30H,3-4,9-10,13H2,1-2H3;14-17H,13H2,1-12H3;1-3,5-6,8-9,11H,4,7,10,12H2;3-7H,1-2H3;3-4,6,11H,1-2,5H2;1-5H,6H2;1,3-4H2,2H3;;/q;;;;;;;;-1;;+1/t28-,29-,30+,31-,32+;;21-,22-,23+,24?,25+;14?,15-,16?,17-;;;;;;;/m1.11......./s1
InChIKeyVXEPPBMGAMNWHJ-XABCHKMISA-N
XLogP31.25
TPSA294.37 Ų
H-Bond Donors10
H-Bond Acceptors22
Rotatable Bonds32
Heavy Atoms181
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003076.81
LogP ≤ 531.25
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1022

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

Analyze lithium;1-benzyl-7-bromo-3,4-dihydro-2H-quinoline;1-benzyl-7-[(5-bromo-2-propan-2-ylphenyl)methyl]-3,4-dihydro-2H-quinoline;(2S,3R,4R,5S,6R)-2-[3-[(1-benzyl-3,4-dihydro-2H-quinolin-7-yl)methyl]-4-propan-2-ylphenyl]-6-(hydroxymethyl)oxane-3,4,5-triol;bromomethylbenzene;5-bromo-2-propan-2-ylbenzaldehyde;7-bromo-1,2,3,4-tetrahydroquinoline;butane;(2R,3S,4R,5R,6S)-2-(hydroxymethyl)-6-[4-propan-2-yl-3-(1,2,3,4-tetrahydroquinolin-7-ylmethyl)phenyl]oxane-3,4,5-triol;molecular iodine;(3R,5R)-3,4,5-tris(trimethylsilyloxy)-6-(trimethylsilyloxymethyl)oxan-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of lithium;1-benzyl-7-bromo-3,4-dihydro-2H-quinoline;1-benzyl-7-[(5-bromo-2-propan-2-ylphenyl)methyl]-3,4-dihydro-2H-quinoline;(2S,3R,4R,5S,6R)-2-[3-[(1-benzyl-3,4-dihydro-2H-quinolin-7-yl)methyl]-4-propan-2-ylphenyl]-6-(hydroxymethyl)oxane-3,4,5-triol;bromomethylbenzene;5-bromo-2-propan-2-ylbenzaldehyde;7-bromo-1,2,3,4-tetrahydroquinoline;butane;(2R,3S,4R,5R,6S)-2-(hydroxymethyl)-6-[4-propan-2-yl-3-(1,2,3,4-tetrahydroquinolin-7-ylmethyl)phenyl]oxane-3,4,5-triol;molecular iodine;(3R,5R)-3,4,5-tris(trimethylsilyloxy)-6-(trimethylsilyloxymethyl)oxan-2-one?
The IUPAC name of lithium;1-benzyl-7-bromo-3,4-dihydro-2H-quinoline;1-benzyl-7-[(5-bromo-2-propan-2-ylphenyl)methyl]-3,4-dihydro-2H-quinoline;(2S,3R,4R,5S,6R)-2-[3-[(1-benzyl-3,4-dihydro-2H-quinolin-7-yl)methyl]-4-propan-2-ylphenyl]-6-(hydroxymethyl)oxane-3,4,5-triol;bromomethylbenzene;5-bromo-2-propan-2-ylbenzaldehyde;7-bromo-1,2,3,4-tetrahydroquinoline;butane;(2R,3S,4R,5R,6S)-2-(hydroxymethyl)-6-[4-propan-2-yl-3-(1,2,3,4-tetrahydroquinolin-7-ylmethyl)phenyl]oxane-3,4,5-triol;molecular iodine;(3R,5R)-3,4,5-tris(trimethylsilyloxy)-6-(trimethylsilyloxymethyl)oxan-2-one (CID 160535339) is lithium;1-benzyl-7-bromo-3,4-dihydro-2H-quinoline;1-benzyl-7-[(5-bromo-2-propan-2-ylphenyl)methyl]-3,4-dihydro-2H-quinoline;(2S,3R,4R,5S,6R)-2-[3-[(1-benzyl-3,4-dihydro-2H-quinolin-7-yl)methyl]-4-propan-2-ylphenyl]-6-(hydroxymethyl)oxane-3,4,5-triol;bromomethylbenzene;5-bromo-2-propan-2-ylbenzaldehyde;7-bromo-1,2,3,4-tetrahydroquinoline;butane;(2R,3S,4R,5R,6S)-2-(hydroxymethyl)-6-[4-propan-2-yl-3-(1,2,3,4-tetrahydroquinolin-7-ylmethyl)phenyl]oxane-3,4,5-triol;molecular iodine;(3R,5R)-3,4,5-tris(trimethylsilyloxy)-6-(trimethylsilyloxymethyl)oxan-2-one.
What is the SMILES notation for lithium;1-benzyl-7-bromo-3,4-dihydro-2H-quinoline;1-benzyl-7-[(5-bromo-2-propan-2-ylphenyl)methyl]-3,4-dihydro-2H-quinoline;(2S,3R,4R,5S,6R)-2-[3-[(1-benzyl-3,4-dihydro-2H-quinolin-7-yl)methyl]-4-propan-2-ylphenyl]-6-(hydroxymethyl)oxane-3,4,5-triol;bromomethylbenzene;5-bromo-2-propan-2-ylbenzaldehyde;7-bromo-1,2,3,4-tetrahydroquinoline;butane;(2R,3S,4R,5R,6S)-2-(hydroxymethyl)-6-[4-propan-2-yl-3-(1,2,3,4-tetrahydroquinolin-7-ylmethyl)phenyl]oxane-3,4,5-triol;molecular iodine;(3R,5R)-3,4,5-tris(trimethylsilyloxy)-6-(trimethylsilyloxymethyl)oxan-2-one?
The canonical SMILES for lithium;1-benzyl-7-bromo-3,4-dihydro-2H-quinoline;1-benzyl-7-[(5-bromo-2-propan-2-ylphenyl)methyl]-3,4-dihydro-2H-quinoline;(2S,3R,4R,5S,6R)-2-[3-[(1-benzyl-3,4-dihydro-2H-quinolin-7-yl)methyl]-4-propan-2-ylphenyl]-6-(hydroxymethyl)oxane-3,4,5-triol;bromomethylbenzene;5-bromo-2-propan-2-ylbenzaldehyde;7-bromo-1,2,3,4-tetrahydroquinoline;butane;(2R,3S,4R,5R,6S)-2-(hydroxymethyl)-6-[4-propan-2-yl-3-(1,2,3,4-tetrahydroquinolin-7-ylmethyl)phenyl]oxane-3,4,5-triol;molecular iodine;(3R,5R)-3,4,5-tris(trimethylsilyloxy)-6-(trimethylsilyloxymethyl)oxan-2-one is BrCc1ccccc1.Brc1ccc2c(c1)N(Cc1ccccc1)CCC2.Brc1ccc2c(c1)NCCC2.CC(C)c1ccc(Br)cc1C=O.CC(C)c1ccc(Br)cc1Cc1ccc2c(c1)N(Cc1ccccc1)CCC2.CC(C)c1ccc([C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)C2O)cc1Cc1ccc2c(c1)NCCC2.CC(C)c1ccc([C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1Cc1ccc2c(c1)N(Cc1ccccc1)CCC2.C[Si](C)(C)OCC1OC(=O)[C@H](O[Si](C)(C)C)C(O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C.II.[CH2-]CCC.[Li+].
What is the InChIKey of lithium;1-benzyl-7-bromo-3,4-dihydro-2H-quinoline;1-benzyl-7-[(5-bromo-2-propan-2-ylphenyl)methyl]-3,4-dihydro-2H-quinoline;(2S,3R,4R,5S,6R)-2-[3-[(1-benzyl-3,4-dihydro-2H-quinolin-7-yl)methyl]-4-propan-2-ylphenyl]-6-(hydroxymethyl)oxane-3,4,5-triol;bromomethylbenzene;5-bromo-2-propan-2-ylbenzaldehyde;7-bromo-1,2,3,4-tetrahydroquinoline;butane;(2R,3S,4R,5R,6S)-2-(hydroxymethyl)-6-[4-propan-2-yl-3-(1,2,3,4-tetrahydroquinolin-7-ylmethyl)phenyl]oxane-3,4,5-triol;molecular iodine;(3R,5R)-3,4,5-tris(trimethylsilyloxy)-6-(trimethylsilyloxymethyl)oxan-2-one?
The InChIKey is VXEPPBMGAMNWHJ-XABCHKMISA-N. The full InChI is InChI=1S/C32H39NO5.C26H28BrN.C25H33NO5.C18H42O6Si4.C16H16BrN.C10H11BrO.C9H10BrN.C7H7Br.C4H9.I2.Li/c1-20(2)26-13-12-24(32-31(37)30(36)29(35)28(19-34)38-32)17-25(26)15-22-10-11-23-9-6-14-33(27(23)16-22)18-21-7-4-3-5-8-21;1-19(2)25-13-12-24(27)17-23(25)15-21-10-11-22-9-6-14-28(26(22)16-21)18-20-7-4-3-5-8-20;1-14(2)19-8-7-17(25-24(30)23(29)22(28)21(13-27)31-25)12-18(19)10-15-5-6-16-4-3-9-26-20(16)11-15;1-25(2,3)20-13-14-15(22-26(4,5)6)16(23-27(7,8)9)17(18(19)21-14)24-28(10,11)12;17-15-9-8-14-7-4-10-18(16(14)11-15)12-13-5-2-1-3-6-13;1-7(2)10-4-3-9(11)5-8(10)6-12;10-8-4-3-7-2-1-5-11-9(7)6-8;8-6-7-4-2-1-3-5-7;1-3-4-2;1-2;/h3-5,7-8,10-13,16-17,20,28-32,34-37H,6,9,14-15,18-19H2,1-2H3;3-5,7-8,10-13,16-17,19H,6,9,14-15,18H2,1-2H3;5-8,11-12,14,21-30H,3-4,9-10,13H2,1-2H3;14-17H,13H2,1-12H3;1-3,5-6,8-9,11H,4,7,10,12H2;3-7H,1-2H3;3-4,6,11H,1-2,5H2;1-5H,6H2;1,3-4H2,2H3;;/q;;;;;;;;-1;;+1/t28-,29-,30+,31-,32+;;21-,22-,23+,24?,25+;14?,15-,16?,17-;;;;;;;/m1.11......./s1.
What are the key properties of lithium;1-benzyl-7-bromo-3,4-dihydro-2H-quinoline;1-benzyl-7-[(5-bromo-2-propan-2-ylphenyl)methyl]-3,4-dihydro-2H-quinoline;(2S,3R,4R,5S,6R)-2-[3-[(1-benzyl-3,4-dihydro-2H-quinolin-7-yl)methyl]-4-propan-2-ylphenyl]-6-(hydroxymethyl)oxane-3,4,5-triol;bromomethylbenzene;5-bromo-2-propan-2-ylbenzaldehyde;7-bromo-1,2,3,4-tetrahydroquinoline;butane;(2R,3S,4R,5R,6S)-2-(hydroxymethyl)-6-[4-propan-2-yl-3-(1,2,3,4-tetrahydroquinolin-7-ylmethyl)phenyl]oxane-3,4,5-triol;molecular iodine;(3R,5R)-3,4,5-tris(trimethylsilyloxy)-6-(trimethylsilyloxymethyl)oxan-2-one?
lithium;1-benzyl-7-bromo-3,4-dihydro-2H-quinoline;1-benzyl-7-[(5-bromo-2-propan-2-ylphenyl)methyl]-3,4-dihydro-2H-quinoline;(2S,3R,4R,5S,6R)-2-[3-[(1-benzyl-3,4-dihydro-2H-quinolin-7-yl)methyl]-4-propan-2-ylphenyl]-6-(hydroxymethyl)oxane-3,4,5-triol;bromomethylbenzene;5-bromo-2-propan-2-ylbenzaldehyde;7-bromo-1,2,3,4-tetrahydroquinoline;butane;(2R,3S,4R,5R,6S)-2-(hydroxymethyl)-6-[4-propan-2-yl-3-(1,2,3,4-tetrahydroquinolin-7-ylmethyl)phenyl]oxane-3,4,5-triol;molecular iodine;(3R,5R)-3,4,5-tris(trimethylsilyloxy)-6-(trimethylsilyloxymethyl)oxan-2-one has a molecular weight of 3076.81 g/mol, XLogP of 31.25, 32 rotatable bonds, 10 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for lithium;1-benzyl-7-bromo-3,4-dihydro-2H-quinoline;1-benzyl-7-[(5-bromo-2-propan-2-ylphenyl)methyl]-3,4-dihydro-2H-quinoline;(2S,3R,4R,5S,6R)-2-[3-[(1-benzyl-3,4-dihydro-2H-quinolin-7-yl)methyl]-4-propan-2-ylphenyl]-6-(hydroxymethyl)oxane-3,4,5-triol;bromomethylbenzene;5-bromo-2-propan-2-ylbenzaldehyde;7-bromo-1,2,3,4-tetrahydroquinoline;butane;(2R,3S,4R,5R,6S)-2-(hydroxymethyl)-6-[4-propan-2-yl-3-(1,2,3,4-tetrahydroquinolin-7-ylmethyl)phenyl]oxane-3,4,5-triol;molecular iodine;(3R,5R)-3,4,5-tris(trimethylsilyloxy)-6-(trimethylsilyloxymethyl)oxan-2-one is sourced from PubChem (CID 160535339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).