1-((1-OCTANOYL-N'-BIOTINOYL-1,6-DIAMINOHEXANE-2R-OCTANOYL)PHOSPHATIDYL)INOSITOL-1-PHOSPHATE, DISODIUM SALT

CAS No.
CCD No.
CCD04184729
Formula
C35 H61 N3 O18 P2 S . 2 Na
MolWeight
951.864

Basic Information

Product Name: 1-((1-OCTANOYL-N'-BIOTINOYL-1,6-DIAMINOHEXANE-2R-OCTANOYL)PHOSPHATIDYL)INOSITOL-1-PHOSPHATE, DISODIUM SALT
English Synonyms: PTDINS-(4)-P1(1,2-DIOCTANOYL) BIOTIN, SODIUM SALT ; 1-((1-OCTANOYL-N'-BIOTINOYL-1,6-DIAMINOHEXANE-2R-OCTANOYL)PHOSPHATIDYL)INOSITOL-1-PHOSPHATE, DISODIUM SALT
MDL Number.: MFCD18428066
H bond acceptor: 21
H bond donor: 8
Smile: CCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCNC(=O)CCCC[C@H]1[C@@H]2[C@H](CS1)NC(=O)N2)COP(=O)([O-])O[C@H]3[C@@H]([C@H]([C@@H]([C@H]([C@H]3O)O)OP(=O)(O)[O-])O)O.[Na+].[Na+]
InChi: InChI=1S/C35H63N3O18P2S.2Na/c1-2-3-4-6-10-17-27(41)54-22(20-53-58(50,51)56-34-31(44)29(42)33(30(43)32(34)45)55-57(47,48)49)19-52-26(40)16-9-7-5-8-13-18-36-25(39)15-12-11-14-24-28-23(21-59-24)37-35(46)38-28;;/h22-24,28-34,42-45H,2-21H2,1H3,(H,36,39)(H,50,51)(H2,37,38,46)(H2,47,48,49);;/q;2*+1/p-2/t22-,23+,24+,28+,29-,30+,31-,32-,33+,34+;;/m1../s1
InChiKey: InChIKey=QDRLBYXPTSCVEJ-FDDNUXFMSA-L

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