1,4-Dithia-8-azaspiro[4.5]decane, 7-(3-pyridinyl)-8-[2,3,4,6-tetrakis-O-(2,2-dimethyl-1-oxopropyl)-beta-D-galactopyranosyl]-, (S)-

Base Information

• Chemical Name: 1,4-Dithia-8-azaspiro[4.5]decane, 7-(3-pyridinyl)-8-[2,3,4,6-tetrakis-O-(2,2-dimethyl-1-oxopropyl)-beta-D-galactopyranosyl]-, (S)-
• CAS No.: 122294-65-9
• Molecular Formula: C₃₈H₅₈N₂O₉S₂
• Molecular Weight: 751.019
• DSSTox Substance ID: DTXSID001103293

Synonyms:DTXSID001103293;122294-65-9

Chemical Property of 1,4-Dithia-8-azaspiro[4.5]decane, 7-(3-pyridinyl)-8-[2,3,4,6-tetrakis-O-(2,2-dimethyl-1-oxopropyl)-beta-D-galactopyranosyl]-, (S)-

Chemical Property:

• XLogP3: 7.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 13
• Rotatable Bond Count: 15
• Exact Mass: 750.35837378
• Heavy Atom Count: 51
• Complexity: 1260

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Safty Information:

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Useful:

• Canonical SMILES: CC(C)(C)C(=O)OCC1C(C(C(C(O1)N2CCC3(CC2C4=CN=CC=C4)SCCS3)OC(=O)C(C)(C)C)OC(=O)C(C)(C)C)OC(=O)C(C)(C)C
• Isomeric SMILES: CC(C)(C)C(=O)OC[C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)N2CCC3(C[C@H]2C4=CN=CC=C4)SCCS3)OC(=O)C(C)(C)C)OC(=O)C(C)(C)C)OC(=O)C(C)(C)C

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