(1S,9S)-1,9-BIS[(1-HYDROXY-1-METHYL)ETHYL]-5-CYANOSEMICORRIN

CAS No.
105251-53-4
CCD No.
CCD03256510
Formula
C16 H25 N3 O2
MolWeight
291.392

Basic Information

Product Name: (1S,9S)-1,9-BIS[(1-HYDROXY-1-METHYL)ETHYL]-5-CYANOSEMICORRIN
CAS: 105251-53-4
English Synonyms: (1S,9S)-1,9-BIS[(1-HYDROXY-1-METHYL)ETHYL]-5-CYANOSEMICORRIN
MDL Number.: MFCD16876492
H bond acceptor: 5
H bond donor: 3
Smile: CC(C)([C@@H]1CC/C(=C(\C#N)/C2=N[C@@H](CC2)C(C)(C)O)/N1)O
InChi: InChI=1S/C16H25N3O2/c1-15(2,20)13-7-5-11(18-13)10(9-17)12-6-8-14(19-12)16(3,4)21/h13-14,18,20-21H,5-8H2,1-4H3/b11-10-/t13-,14-/m0/s1
InChiKey: InChIKey=UPNQOVCPPLLYQI-VSERSJBDSA-N

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