2-[[(3R)-4-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]pyridine-3-carbonyl]thiomorpholin-3-yl]methoxy]-6-hydroxybenzaldehyde;2-[[(3S)-4-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]pyridine-3-carbonyl]thiomorpholin-3-yl]methoxy]-6-hydroxybenzaldehyde;2-[[4-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]pyridine-3-carbonyl]thiomorpholin-3-yl]methoxy]-6-hydroxybenzaldehyde;2-[[tert-butyl(dimethyl)silyl]oxymethyl]pyridine-3-carboxylic acid;[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-pyridinyl]-[3-(hydroxymethyl)thiomorpholin-4-yl]methanone;2,6-dihydroxybenzaldehyde;2-hydroxy-6-[[(3R)-4-[2-(hydroxymethyl)pyridine-3-carbonyl]thiomorpholin-3-yl]methoxy]benzaldehyde;2-hydroxy-6-[[(3S)-4-[2-(hydroxymethyl)pyridine-3-carbonyl]thiomorpholin-3-yl]methoxy]benzaldehyde;thiomorpholin-3-ylmethanol;hydrochloride

C156H211ClN14O35S7Si5 — CID 157070466

IUPAC2-[[(3R)-4-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]pyridine-3-carbonyl]thiomorpholin-3-yl]methoxy]-6-hydroxybenzaldehyde;2-[[(3S)-4-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]pyridine-3-carbonyl]thiomorpholin-3-yl]methoxy]-6-hydroxybenzaldehyde;2-[[4-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]pyridine-3-carbonyl]thiomorpholin-3-yl]methoxy]-6-hydroxybenzaldehyde;2-[[tert-butyl(dimethyl)silyl]oxymethyl]pyridine-3-carboxylic acid;[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-pyridinyl]-[3-(hydroxymethyl)thiomorpholin-4-yl]methanone;2,6-dihydroxybenzaldehyde;2-hydroxy-6-[[(3R)-4-[2-(hydroxymethyl)pyridine-3-carbonyl]thiomorpholin-3-yl]methoxy]benzaldehyde;2-hydroxy-6-[[(3S)-4-[2-(hydroxymethyl)pyridine-3-carbonyl]thiomorpholin-3-yl]methoxy]benzaldehyde;thiomorpholin-3-ylmethanol;hydrochloride
SMILESCC(C)(C)[Si](C)(C)OCc1ncccc1C(=O)N1CCSCC1CO.CC(C)(C)[Si](C)(C)OCc1ncccc1C(=O)N1CCSCC1COc1cccc(O)c1C=O.CC(C)(C)[Si](C)(C)OCc1ncccc1C(=O)N1CCSC[C@@H]1COc1cccc(O)c1C=O.CC(C)(C)[Si](C)(C)OCc1ncccc1C(=O)N1CCSC[C@H]1COc1cccc(O)c1C=O.CC(C)(C)[Si](C)(C)OCc1ncccc1C(=O)O.Cl.O=Cc1c(O)cccc1O.O=Cc1c(O)cccc1OC[C@@H]1CSCCN1C(=O)c1cccnc1CO.O=Cc1c(O)cccc1OC[C@H]1CSCCN1C(=O)c1cccnc1CO.OCC1CSCCN1
InChIInChI=1S/3C25H34N2O5SSi.2C19H20N2O5S.C18H30N2O3SSi.C13H21NO3Si.C7H6O3.C5H11NOS.ClH/c3*1-25(2,3)34(4,5)32-16-21-19(8-7-11-26-21)24(30)27-12-13-33-17-18(27)15-31-23-10-6-9-22(29)20(23)14-28;2*22-9-15-17(24)4-1-5-18(15)26-11-13-12-27-8-7-21(13)19(25)14-3-2-6-20-16(14)10-23;1-18(2,3)25(4,5)23-12-16-15(7-6-8-19-16)17(22)20-9-10-24-13-14(20)11-21;1-13(2,3)18(4,5)17-9-11-10(12(15)16)7-6-8-14-11;8-4-5-6(9)2-1-3-7(5)10;7-3-5-4-8-2-1-6-5;/h3*6-11,14,18,29H,12-13,15-17H2,1-5H3;2*1-6,9,13,23-24H,7-8,10-12H2;6-8,14,21H,9-13H2,1-5H3;6-8H,9H2,1-5H3,(H,15,16);1-4,9-10H;5-7H,1-4H2;1H/t2*18-;;2*13-;;;;;/m10.10...../s1
InChIKeyACNUDLIHDXLJDB-WMBDFVBMSA-N
MW3242.82 g/mol
LogP25.20
Rot. Bonds47

About 2-[[(3R)-4-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]pyridine-3-carbonyl]thiomorpholin-3-yl]methoxy]-6-hydroxybenzaldehyde;2-[[(3S)-4-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]pyridine-3-carbonyl]thiomorpholin-3-yl]methoxy]-6-hydroxybenzaldehyde;2-[[4-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]pyridine-3-carbonyl]thiomorpholin-3-yl]methoxy]-6-hydroxybenzaldehyde;2-[[tert-butyl(dimethyl)silyl]oxymethyl]pyridine-3-carboxylic acid;[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-pyridinyl]-[3-(hydroxymethyl)thiomorpholin-4-yl]methanone;2,6-dihydroxybenzaldehyde;2-hydroxy-6-[[(3R)-4-[2-(hydroxymethyl)pyridine-3-carbonyl]thiomorpholin-3-yl]methoxy]benzaldehyde;2-hydroxy-6-[[(3S)-4-[2-(hydroxymethyl)pyridine-3-carbonyl]thiomorpholin-3-yl]methoxy]benzaldehyde;thiomorpholin-3-ylmethanol;hydrochloride

2-[[(3R)-4-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]pyridine-3-carbonyl]thiomorpholin-3-yl]methoxy]-6-hydroxybenzaldehyde;2-[[(3S)-4-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]pyridine-3-carbonyl]thiomorpholin-3-yl]methoxy]-6-hydroxybenzaldehyde;2-[[4-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]pyridine-3-carbonyl]thiomorpholin-3-yl]methoxy]-6-hydroxybenzaldehyde;2-[[tert-butyl(dimethyl)silyl]oxymethyl]pyridine-3-carboxylic acid;[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-pyridinyl]-[3-(hydroxymethyl)thiomorpholin-4-yl]methanone;2,6-dihydroxybenzaldehyde;2-hydroxy-6-[[(3R)-4-[2-(hydroxymethyl)pyridine-3-carbonyl]thiomorpholin-3-yl]methoxy]benzaldehyde;2-hydroxy-6-[[(3S)-4-[2-(hydroxymethyl)pyridine-3-carbonyl]thiomorpholin-3-yl]methoxy]benzaldehyde;thiomorpholin-3-ylmethanol;hydrochloride (PubChem CID 157070466) has the molecular formula C156H211ClN14O35S7Si5 and a molecular weight of 3242.82 g/mol. Its IUPAC name is 2-[[(3R)-4-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]pyridine-3-carbonyl]thiomorpholin-3-yl]methoxy]-6-hydroxybenzaldehyde;2-[[(3S)-4-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]pyridine-3-carbonyl]thiomorpholin-3-yl]methoxy]-6-hydroxybenzaldehyde;2-[[4-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]pyridine-3-carbonyl]thiomorpholin-3-yl]methoxy]-6-hydroxybenzaldehyde;2-[[tert-butyl(dimethyl)silyl]oxymethyl]pyridine-3-carboxylic acid;[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-pyridinyl]-[3-(hydroxymethyl)thiomorpholin-4-yl]methanone;2,6-dihydroxybenzaldehyde;2-hydroxy-6-[[(3R)-4-[2-(hydroxymethyl)pyridine-3-carbonyl]thiomorpholin-3-yl]methoxy]benzaldehyde;2-hydroxy-6-[[(3S)-4-[2-(hydroxymethyl)pyridine-3-carbonyl]thiomorpholin-3-yl]methoxy]benzaldehyde;thiomorpholin-3-ylmethanol;hydrochloride.

Molecular Properties

Compound Name2-[[(3R)-4-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]pyridine-3-carbonyl]thiomorpholin-3-yl]methoxy]-6-hydroxybenzaldehyde;2-[[(3S)-4-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]pyridine-3-carbonyl]thiomorpholin-3-yl]methoxy]-6-hydroxybenzaldehyde;2-[[4-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]pyridine-3-carbonyl]thiomorpholin-3-yl]methoxy]-6-hydroxybenzaldehyde;2-[[tert-butyl(dimethyl)silyl]oxymethyl]pyridine-3-carboxylic acid;[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-pyridinyl]-[3-(hydroxymethyl)thiomorpholin-4-yl]methanone;2,6-dihydroxybenzaldehyde;2-hydroxy-6-[[(3R)-4-[2-(hydroxymethyl)pyridine-3-carbonyl]thiomorpholin-3-yl]methoxy]benzaldehyde;2-hydroxy-6-[[(3S)-4-[2-(hydroxymethyl)pyridine-3-carbonyl]thiomorpholin-3-yl]methoxy]benzaldehyde;thiomorpholin-3-ylmethanol;hydrochloride
PubChem CID157070466
Molecular FormulaC156H211ClN14O35S7Si5
Molecular Weight3242.82 g/mol
Exact Mass3239.17
IUPAC Name2-[[(3R)-4-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]pyridine-3-carbonyl]thiomorpholin-3-yl]methoxy]-6-hydroxybenzaldehyde;2-[[(3S)-4-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]pyridine-3-carbonyl]thiomorpholin-3-yl]methoxy]-6-hydroxybenzaldehyde;2-[[4-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]pyridine-3-carbonyl]thiomorpholin-3-yl]methoxy]-6-hydroxybenzaldehyde;2-[[tert-butyl(dimethyl)silyl]oxymethyl]pyridine-3-carboxylic acid;[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-pyridinyl]-[3-(hydroxymethyl)thiomorpholin-4-yl]methanone;2,6-dihydroxybenzaldehyde;2-hydroxy-6-[[(3R)-4-[2-(hydroxymethyl)pyridine-3-carbonyl]thiomorpholin-3-yl]methoxy]benzaldehyde;2-hydroxy-6-[[(3S)-4-[2-(hydroxymethyl)pyridine-3-carbonyl]thiomorpholin-3-yl]methoxy]benzaldehyde;thiomorpholin-3-ylmethanol;hydrochloride
SMILESCC(C)(C)[Si](C)(C)OCc1ncccc1C(=O)N1CCSCC1CO.CC(C)(C)[Si](C)(C)OCc1ncccc1C(=O)N1CCSCC1COc1cccc(O)c1C=O.CC(C)(C)[Si](C)(C)OCc1ncccc1C(=O)N1CCSC[C@@H]1COc1cccc(O)c1C=O.CC(C)(C)[Si](C)(C)OCc1ncccc1C(=O)N1CCSC[C@H]1COc1cccc(O)c1C=O.CC(C)(C)[Si](C)(C)OCc1ncccc1C(=O)O.Cl.O=Cc1c(O)cccc1O.O=Cc1c(O)cccc1OC[C@@H]1CSCCN1C(=O)c1cccnc1CO.O=Cc1c(O)cccc1OC[C@H]1CSCCN1C(=O)c1cccnc1CO.OCC1CSCCN1
InChIInChI=1S/3C25H34N2O5SSi.2C19H20N2O5S.C18H30N2O3SSi.C13H21NO3Si.C7H6O3.C5H11NOS.ClH/c3*1-25(2,3)34(4,5)32-16-21-19(8-7-11-26-21)24(30)27-12-13-33-17-18(27)15-31-23-10-6-9-22(29)20(23)14-28;2*22-9-15-17(24)4-1-5-18(15)26-11-13-12-27-8-7-21(13)19(25)14-3-2-6-20-16(14)10-23;1-18(2,3)25(4,5)23-12-16-15(7-6-8-19-16)17(22)20-9-10-24-13-14(20)11-21;1-13(2,3)18(4,5)17-9-11-10(12(15)16)7-6-8-14-11;8-4-5-6(9)2-1-3-7(5)10;7-3-5-4-8-2-1-6-5;/h3*6-11,14,18,29H,12-13,15-17H2,1-5H3;2*1-6,9,13,23-24H,7-8,10-12H2;6-8,14,21H,9-13H2,1-5H3;6-8H,9H2,1-5H3,(H,15,16);1-4,9-10H;5-7H,1-4H2;1H/t2*18-;;2*13-;;;;;/m10.10...../s1
InChIKeyACNUDLIHDXLJDB-WMBDFVBMSA-N
XLogP25.20
TPSA678.67 Ų
H-Bond Donors13
H-Bond Acceptors49
Rotatable Bonds47
Heavy Atoms218
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003242.82
LogP ≤ 525.20
H-Bond Donors ≤ 513
H-Bond Acceptors ≤ 1049

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze 2-[[(3R)-4-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]pyridine-3-carbonyl]thiomorpholin-3-yl]methoxy]-6-hydroxybenzaldehyde;2-[[(3S)-4-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]pyridine-3-carbonyl]thiomorpholin-3-yl]methoxy]-6-hydroxybenzaldehyde;2-[[4-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]pyridine-3-carbonyl]thiomorpholin-3-yl]methoxy]-6-hydroxybenzaldehyde;2-[[tert-butyl(dimethyl)silyl]oxymethyl]pyridine-3-carboxylic acid;[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-pyridinyl]-[3-(hydroxymethyl)thiomorpholin-4-yl]methanone;2,6-dihydroxybenzaldehyde;2-hydroxy-6-[[(3R)-4-[2-(hydroxymethyl)pyridine-3-carbonyl]thiomorpholin-3-yl]methoxy]benzaldehyde;2-hydroxy-6-[[(3S)-4-[2-(hydroxymethyl)pyridine-3-carbonyl]thiomorpholin-3-yl]methoxy]benzaldehyde;thiomorpholin-3-ylmethanol;hydrochloride with MolForge

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Launch Full Analysis

Related Compounds

2-[[(3R)-4-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]pyridine-3-carbonyl]thiomorpholin-3-yl]methoxy]-6-hydroxybenzaldehyde;2-hydroxy-6-[[(3R)-4-[2-(hydroxymethyl)pyridine-3-carbonyl]thiomorpholin-3-yl]methoxy]benzaldehyde
CID 160588259
2-hydroxy-6-[[4-[2-(hydroxymethyl)pyridine-3-carbonyl]thiomorpholin-3-yl]methoxy]benzaldehyde
CID 146567635
2-hydroxy-6-[[(3S)-4-[2-(hydroxymethyl)pyridine-3-carbonyl]thiomorpholin-3-yl]methoxy]benzaldehyde
CID 146567715
2-hydroxy-6-[[(3S)-4-[2-[(2S)-2-hydroxypropyl]pyridine-3-carbonyl]thiomorpholin-3-yl]methoxy]benzaldehyde
CID 146616690
2-hydroxy-6-[[4-[2-(2-hydroxyethyl)pyridine-3-carbonyl]thiomorpholin-3-yl]methoxy]benzaldehyde
CID 146567658
2-hydroxy-6-[[(3R)-4-[2-(1-hydroxyethyl)pyridine-3-carbonyl]thiomorpholin-3-yl]methoxy]benzaldehyde
CID 146567594
2-hydroxy-6-[[(3S)-4-[2-(2-hydroxy-2-methylpropyl)pyridine-3-carbonyl]morpholin-3-yl]methoxy]benzaldehyde
CID 146567643
[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-pyridinyl]-[(3R)-3-(hydroxymethyl)morpholin-4-yl]methanone
CID 152643148
2-hydroxy-6-[[(3S)-4-[2-(2-hydroxypropyl)pyridine-3-carbonyl]morpholin-3-yl]methoxy]benzaldehyde
CID 146567615
(2R)-2-amino-3-(2-hydroxyethylsulfanyl)propanoic acid;(2R)-2-amino-3-sulfanylpropanoic acid;benzyl (3R)-thiomorpholine-3-carboxylate;2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]pyridine-3-carboxylic acid;[2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3-pyridinyl]-[(3R)-3-(hydroxymethyl)thiomorpholin-4-yl]methanone;dibenzyl (3R)-thiomorpholine-3,4-dicarboxylate;2,6-dihydroxybenzaldehyde;(2R)-3-(2-hydroxyethylsulfanyl)-2-(phenylmethoxycarbonylamino)propanoic acid;oxirane;(3R)-thiomorpholine-3-carboxylic acid
CID 160980004
2-hydroxy-6-[[4-[2-(2-hydroxyethyl)pyridine-3-carbonyl]morpholin-3-yl]methoxy]benzaldehyde;sulfuric acid
CID 175505949
ethanesulfonic acid;2-hydroxy-6-[[4-[2-(2-hydroxyethyl)pyridine-3-carbonyl]morpholin-3-yl]methoxy]benzaldehyde
CID 175505929

Frequently Asked Questions

What is the IUPAC name of 2-[[(3R)-4-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]pyridine-3-carbonyl]thiomorpholin-3-yl]methoxy]-6-hydroxybenzaldehyde;2-[[(3S)-4-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]pyridine-3-carbonyl]thiomorpholin-3-yl]methoxy]-6-hydroxybenzaldehyde;2-[[4-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]pyridine-3-carbonyl]thiomorpholin-3-yl]methoxy]-6-hydroxybenzaldehyde;2-[[tert-butyl(dimethyl)silyl]oxymethyl]pyridine-3-carboxylic acid;[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-pyridinyl]-[3-(hydroxymethyl)thiomorpholin-4-yl]methanone;2,6-dihydroxybenzaldehyde;2-hydroxy-6-[[(3R)-4-[2-(hydroxymethyl)pyridine-3-carbonyl]thiomorpholin-3-yl]methoxy]benzaldehyde;2-hydroxy-6-[[(3S)-4-[2-(hydroxymethyl)pyridine-3-carbonyl]thiomorpholin-3-yl]methoxy]benzaldehyde;thiomorpholin-3-ylmethanol;hydrochloride?
The IUPAC name of 2-[[(3R)-4-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]pyridine-3-carbonyl]thiomorpholin-3-yl]methoxy]-6-hydroxybenzaldehyde;2-[[(3S)-4-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]pyridine-3-carbonyl]thiomorpholin-3-yl]methoxy]-6-hydroxybenzaldehyde;2-[[4-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]pyridine-3-carbonyl]thiomorpholin-3-yl]methoxy]-6-hydroxybenzaldehyde;2-[[tert-butyl(dimethyl)silyl]oxymethyl]pyridine-3-carboxylic acid;[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-pyridinyl]-[3-(hydroxymethyl)thiomorpholin-4-yl]methanone;2,6-dihydroxybenzaldehyde;2-hydroxy-6-[[(3R)-4-[2-(hydroxymethyl)pyridine-3-carbonyl]thiomorpholin-3-yl]methoxy]benzaldehyde;2-hydroxy-6-[[(3S)-4-[2-(hydroxymethyl)pyridine-3-carbonyl]thiomorpholin-3-yl]methoxy]benzaldehyde;thiomorpholin-3-ylmethanol;hydrochloride (CID 157070466) is 2-[[(3R)-4-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]pyridine-3-carbonyl]thiomorpholin-3-yl]methoxy]-6-hydroxybenzaldehyde;2-[[(3S)-4-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]pyridine-3-carbonyl]thiomorpholin-3-yl]methoxy]-6-hydroxybenzaldehyde;2-[[4-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]pyridine-3-carbonyl]thiomorpholin-3-yl]methoxy]-6-hydroxybenzaldehyde;2-[[tert-butyl(dimethyl)silyl]oxymethyl]pyridine-3-carboxylic acid;[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-pyridinyl]-[3-(hydroxymethyl)thiomorpholin-4-yl]methanone;2,6-dihydroxybenzaldehyde;2-hydroxy-6-[[(3R)-4-[2-(hydroxymethyl)pyridine-3-carbonyl]thiomorpholin-3-yl]methoxy]benzaldehyde;2-hydroxy-6-[[(3S)-4-[2-(hydroxymethyl)pyridine-3-carbonyl]thiomorpholin-3-yl]methoxy]benzaldehyde;thiomorpholin-3-ylmethanol;hydrochloride.
What is the SMILES notation for 2-[[(3R)-4-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]pyridine-3-carbonyl]thiomorpholin-3-yl]methoxy]-6-hydroxybenzaldehyde;2-[[(3S)-4-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]pyridine-3-carbonyl]thiomorpholin-3-yl]methoxy]-6-hydroxybenzaldehyde;2-[[4-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]pyridine-3-carbonyl]thiomorpholin-3-yl]methoxy]-6-hydroxybenzaldehyde;2-[[tert-butyl(dimethyl)silyl]oxymethyl]pyridine-3-carboxylic acid;[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-pyridinyl]-[3-(hydroxymethyl)thiomorpholin-4-yl]methanone;2,6-dihydroxybenzaldehyde;2-hydroxy-6-[[(3R)-4-[2-(hydroxymethyl)pyridine-3-carbonyl]thiomorpholin-3-yl]methoxy]benzaldehyde;2-hydroxy-6-[[(3S)-4-[2-(hydroxymethyl)pyridine-3-carbonyl]thiomorpholin-3-yl]methoxy]benzaldehyde;thiomorpholin-3-ylmethanol;hydrochloride?
The canonical SMILES for 2-[[(3R)-4-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]pyridine-3-carbonyl]thiomorpholin-3-yl]methoxy]-6-hydroxybenzaldehyde;2-[[(3S)-4-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]pyridine-3-carbonyl]thiomorpholin-3-yl]methoxy]-6-hydroxybenzaldehyde;2-[[4-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]pyridine-3-carbonyl]thiomorpholin-3-yl]methoxy]-6-hydroxybenzaldehyde;2-[[tert-butyl(dimethyl)silyl]oxymethyl]pyridine-3-carboxylic acid;[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-pyridinyl]-[3-(hydroxymethyl)thiomorpholin-4-yl]methanone;2,6-dihydroxybenzaldehyde;2-hydroxy-6-[[(3R)-4-[2-(hydroxymethyl)pyridine-3-carbonyl]thiomorpholin-3-yl]methoxy]benzaldehyde;2-hydroxy-6-[[(3S)-4-[2-(hydroxymethyl)pyridine-3-carbonyl]thiomorpholin-3-yl]methoxy]benzaldehyde;thiomorpholin-3-ylmethanol;hydrochloride is CC(C)(C)[Si](C)(C)OCc1ncccc1C(=O)N1CCSCC1CO.CC(C)(C)[Si](C)(C)OCc1ncccc1C(=O)N1CCSCC1COc1cccc(O)c1C=O.CC(C)(C)[Si](C)(C)OCc1ncccc1C(=O)N1CCSC[C@@H]1COc1cccc(O)c1C=O.CC(C)(C)[Si](C)(C)OCc1ncccc1C(=O)N1CCSC[C@H]1COc1cccc(O)c1C=O.CC(C)(C)[Si](C)(C)OCc1ncccc1C(=O)O.Cl.O=Cc1c(O)cccc1O.O=Cc1c(O)cccc1OC[C@@H]1CSCCN1C(=O)c1cccnc1CO.O=Cc1c(O)cccc1OC[C@H]1CSCCN1C(=O)c1cccnc1CO.OCC1CSCCN1.
What is the InChIKey of 2-[[(3R)-4-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]pyridine-3-carbonyl]thiomorpholin-3-yl]methoxy]-6-hydroxybenzaldehyde;2-[[(3S)-4-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]pyridine-3-carbonyl]thiomorpholin-3-yl]methoxy]-6-hydroxybenzaldehyde;2-[[4-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]pyridine-3-carbonyl]thiomorpholin-3-yl]methoxy]-6-hydroxybenzaldehyde;2-[[tert-butyl(dimethyl)silyl]oxymethyl]pyridine-3-carboxylic acid;[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-pyridinyl]-[3-(hydroxymethyl)thiomorpholin-4-yl]methanone;2,6-dihydroxybenzaldehyde;2-hydroxy-6-[[(3R)-4-[2-(hydroxymethyl)pyridine-3-carbonyl]thiomorpholin-3-yl]methoxy]benzaldehyde;2-hydroxy-6-[[(3S)-4-[2-(hydroxymethyl)pyridine-3-carbonyl]thiomorpholin-3-yl]methoxy]benzaldehyde;thiomorpholin-3-ylmethanol;hydrochloride?
The InChIKey is ACNUDLIHDXLJDB-WMBDFVBMSA-N. The full InChI is InChI=1S/3C25H34N2O5SSi.2C19H20N2O5S.C18H30N2O3SSi.C13H21NO3Si.C7H6O3.C5H11NOS.ClH/c3*1-25(2,3)34(4,5)32-16-21-19(8-7-11-26-21)24(30)27-12-13-33-17-18(27)15-31-23-10-6-9-22(29)20(23)14-28;2*22-9-15-17(24)4-1-5-18(15)26-11-13-12-27-8-7-21(13)19(25)14-3-2-6-20-16(14)10-23;1-18(2,3)25(4,5)23-12-16-15(7-6-8-19-16)17(22)20-9-10-24-13-14(20)11-21;1-13(2,3)18(4,5)17-9-11-10(12(15)16)7-6-8-14-11;8-4-5-6(9)2-1-3-7(5)10;7-3-5-4-8-2-1-6-5;/h3*6-11,14,18,29H,12-13,15-17H2,1-5H3;2*1-6,9,13,23-24H,7-8,10-12H2;6-8,14,21H,9-13H2,1-5H3;6-8H,9H2,1-5H3,(H,15,16);1-4,9-10H;5-7H,1-4H2;1H/t2*18-;;2*13-;;;;;/m10.10...../s1.
What are the key properties of 2-[[(3R)-4-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]pyridine-3-carbonyl]thiomorpholin-3-yl]methoxy]-6-hydroxybenzaldehyde;2-[[(3S)-4-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]pyridine-3-carbonyl]thiomorpholin-3-yl]methoxy]-6-hydroxybenzaldehyde;2-[[4-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]pyridine-3-carbonyl]thiomorpholin-3-yl]methoxy]-6-hydroxybenzaldehyde;2-[[tert-butyl(dimethyl)silyl]oxymethyl]pyridine-3-carboxylic acid;[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-pyridinyl]-[3-(hydroxymethyl)thiomorpholin-4-yl]methanone;2,6-dihydroxybenzaldehyde;2-hydroxy-6-[[(3R)-4-[2-(hydroxymethyl)pyridine-3-carbonyl]thiomorpholin-3-yl]methoxy]benzaldehyde;2-hydroxy-6-[[(3S)-4-[2-(hydroxymethyl)pyridine-3-carbonyl]thiomorpholin-3-yl]methoxy]benzaldehyde;thiomorpholin-3-ylmethanol;hydrochloride?
2-[[(3R)-4-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]pyridine-3-carbonyl]thiomorpholin-3-yl]methoxy]-6-hydroxybenzaldehyde;2-[[(3S)-4-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]pyridine-3-carbonyl]thiomorpholin-3-yl]methoxy]-6-hydroxybenzaldehyde;2-[[4-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]pyridine-3-carbonyl]thiomorpholin-3-yl]methoxy]-6-hydroxybenzaldehyde;2-[[tert-butyl(dimethyl)silyl]oxymethyl]pyridine-3-carboxylic acid;[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-pyridinyl]-[3-(hydroxymethyl)thiomorpholin-4-yl]methanone;2,6-dihydroxybenzaldehyde;2-hydroxy-6-[[(3R)-4-[2-(hydroxymethyl)pyridine-3-carbonyl]thiomorpholin-3-yl]methoxy]benzaldehyde;2-hydroxy-6-[[(3S)-4-[2-(hydroxymethyl)pyridine-3-carbonyl]thiomorpholin-3-yl]methoxy]benzaldehyde;thiomorpholin-3-ylmethanol;hydrochloride has a molecular weight of 3242.82 g/mol, XLogP of 25.20, 47 rotatable bonds, 13 hydrogen bond donors, and 49 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(3R)-4-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]pyridine-3-carbonyl]thiomorpholin-3-yl]methoxy]-6-hydroxybenzaldehyde;2-[[(3S)-4-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]pyridine-3-carbonyl]thiomorpholin-3-yl]methoxy]-6-hydroxybenzaldehyde;2-[[4-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]pyridine-3-carbonyl]thiomorpholin-3-yl]methoxy]-6-hydroxybenzaldehyde;2-[[tert-butyl(dimethyl)silyl]oxymethyl]pyridine-3-carboxylic acid;[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-pyridinyl]-[3-(hydroxymethyl)thiomorpholin-4-yl]methanone;2,6-dihydroxybenzaldehyde;2-hydroxy-6-[[(3R)-4-[2-(hydroxymethyl)pyridine-3-carbonyl]thiomorpholin-3-yl]methoxy]benzaldehyde;2-hydroxy-6-[[(3S)-4-[2-(hydroxymethyl)pyridine-3-carbonyl]thiomorpholin-3-yl]methoxy]benzaldehyde;thiomorpholin-3-ylmethanol;hydrochloride is sourced from PubChem (CID 157070466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).