D,L-3-HYDROXY-3-METHYLGLUTARYL COENZYME A DISODIUM SALT

CAS号
103476-21-7
CCD编号
CCD01673274
分子式
C27H42N7Na2O20P3S
分子量
955.626

基本信息

产品名称: D,L-3-HYDROXY-3-METHYLGLUTARYL COENZYME A DISODIUM SALT
CAS: 103476-21-7
英文同义词: COENZYME A, S-(HYDROGEN3-HYDROXY-3-METHYL PENTANEDIOATE), DISODIUM SALT (9CI) ; D,L-3-HYDROXY-3-METHYLGLUTARYL COENZYME A DISODIUM SALT
MDL号: MFCD12546623
氢键受体数量: 27
氢键供体数量: 9
Smile: [Na+].[Na+].CC(C)(COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP([O-])([O-])=O)N1C=NC2=C1N=CN=C2N)C(O)C(=O)NCCC(=O)NCCSC(=O)CCC(C)(O)C(O)=O
InChi: InChI=1S/C27H44N7O20P3S.2Na/c1-26(2,20(38)23(39)30-7-5-15(35)29-8-9-58-16(36)4-6-27(3,42)25(40)41)11-51-57(48,49)54-56(46,47)50-10-14-19(53-55(43,44)45)18(37)24(52-14)34-13-33-17-21(28)31-12-32-22(17)34;;/h12-14,18-20,24,37-38,42H,4-11H2,1-3H3,(H,29,35)(H,30,39)(H,40,41)(H,46,47)(H,48,49)(H2,28,31,32)(H2,43,44,45);;/q;2*+1/p-2/t14-,18-,19-,20?,24-,27?;;/m1../s1
InChiKey: InChIKey=RGJBQZNPOCDMTJ-XBUPIAGQSA-L