4332-37-0
ACETYL COENZYME A, [ACETYL-1-14C]
NameACETYL COENZYME A, [ACETYL-1-14C]
FormulaC23 H38 N7 O17 P3 S
1Identification
【Name】
ACETYL COENZYME A, [ACETYL-1-14C]
【CAS】
【MDL】
MFCD00189473
【English Synonyms】
【Formula】
C23 H38 N7 O17 P3 S
【MolWeight】
811.562
【Inchi】
InChI=1S/C23H38N7O17P3S/c1-12(31)51-7-6-25-14(32)4-5-26-21(35)18(34)23(2,3)9-44-50(41,42)47-49(39,40)43-8-13-17(46-48(36,37)38)16(33)22(45-13)30-11-29-15-19(24)27-10-28-20(15)30/h10-11,13,16-18,22,33-34H,4-9H2,1-3H3,(H,25,32)(H,26,35)(H,39,40)(H,41,42)(H2,24,27,28)(H2,36,37,38)/t13-,16-,17-,18-,22-/m1/s1/i12+2
【InChIKey】
InChIKey=ZSLZBFCDCINBPY-RRDSQDKDSA-N
【SMILES】
C[14C](=O)SCCNC(=O)CCNC(=O)[C@H](C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O
【MOL File】
ACETYL COENZYME A, [….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:9
H bond acceptor:24
XLogP3:-5.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
ACETYL COENZYME A, [ACETYL-1-14C].cml