YM-796

HCID 177232

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Basic information

CAS: 171252-79-2
Standard SMILES: C=C1CC2(CCN(C)CC2)OC1C.O=C(O)[C@H](O)[C@@H](O)C(=O)O
InChIKey: RMKUOCBJRZODFU-LREBCSMRSA-N
Molecular formula: C15H25NO7
Average molar mass: 331.36 g/mol
Monoisotopic mass: 331.16310214

Names & identifiers

Preferred name: YM-796
IUPAC: (2R,3R)-2,3-dihydroxybutanedioic acid;2,8-dimethyl-3-methylidene-1-oxa-8-azaspiro[4.5]decane
English name: (S)-2β,8-Dimethyl-3-methylene-1-oxa-8-azaspiro[4.5]decane/(2R,3R)-2,3-dihydroxybutanedioic acid,(1:1)
Molecular formula: C15H25NO7
Molecular weight: 331.37

Names & synonyms

171252-79-2YM 796RefChem:388476YM-796(S)-(-)-2,8-Dimethyl-3-methylene-1-oxa-8-azaspiro(4.5)decane L-tartrateSCHEMBL29400737DTXSID70937950(2R,3R)-2,3-Dihydroxybutanedioic acid--2,8-dimethyl-3-methylidene-1-oxa-8-azaspiro[4.5]decane (1/1)2,3-Dihydroxybutanedioic acid--2,8-dimethyl-3-methylidene-1-oxa-8-azaspiro[4.5]decane (1/1)(S)-2β,8-Dimethyl-3-methylene-1-oxa-8-azaspiro[4.5]decane/(2R,3R)-2,3-dihydroxybutanedioic acid,(1:1)

Database identifiers

CAS: 171252-79-2
PubChem CID: 177232
DTXSID: DTXSID70937950

Properties

Computed structural properties

Topological polar surface area: 128 Å²
Hydrogen bond donors: 4
Hydrogen bond acceptors: 8
Rotatable bonds: 3
Heavy atoms: 23
Formal charge: 0
Complexity: 350

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