26:0 COENZYME A AMMONIUM SALT

CAS No.
799813-02-8
CCD No.
CCD07395603
Formula
C47 H86 N7 O17 P3 S . 3 H3 N
MolWeight
1197.31

Basic Information

Product Name: 26:0 COENZYME A AMMONIUM SALT
CAS: 799813-02-8
English Synonyms: 26:0 COENZYME A AMMONIUM SALT ; HEXACOSANOYL COENZYME A (AMMONIUM SALT) ; HEXACOSANOYL COENZYME A AMMONIUM SALT
MDL Number.: MFCD22416636
H bond acceptor: 24
H bond donor: 9
Smile: CCCCCCCCCCCCCCCCCCCCCCCCCC(=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.N.N.N
InChi: InChI=1S/C47H86N7O17P3S.3H3N/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-38(56)75-31-30-49-37(55)28-29-50-45(59)42(58)47(2,3)33-68-74(65,66)71-73(63,64)67-32-36-41(70-72(60,61)62)40(57)46(69-36)54-35-53-39-43(48)51-34-52-44(39)54;;;/h34-36,40-42,46,57-58H,4-33H2,1-3H3,(H,49,55)(H,50,59)(H,63,64)(H,65,66)(H2,48,51,52)(H2,60,61,62);3*1H3/t36-,40-,41-,42+,46-;;;/m1.../s1
InChiKey: InChIKey=XKPNJROJQZVENY-BWAHYCMZSA-N

Property

Safety information

* If the product has intellectual property rights, a license granted is must or contact us.