3-AMINO-3-DEOXYDIGOXIGENIN-9-DDGTP

CAS No.
CCD No.
CCD00296075
Formula
C33H49N6O15P3
MolWeight
862.699

Basic Information

Product Name: 3-AMINO-3-DEOXYDIGOXIGENIN-9-DDGTP
English Synonyms: AMINODIGOXIGENIN-9-DDGTP ; 3-AMINO-3-DEOXYDIGOXIGENIN-9-DDGTP
MDL Number.: MFCD02180989
H bond acceptor: 21
H bond donor: 7
Smile: [H][C@]12CCC3[C@]([H])(C[C@@H](O)[C@]4(C)[C@H](CC[C@]34OP(O)(=O)OP(O)(=O)OP(O)(=O)OC[C@@H]3CC[C@@H](O3)N3C=NC4=C3N=C(N)NC4=O)C3=CC(=O)OC3)[C@@]1(C)CC[C@H](N)C2
InChi: InChI=1S/C33H49N6O15P3/c1-31-9-7-19(34)12-18(31)3-5-22-23(31)13-24(40)32(2)21(17-11-26(41)49-14-17)8-10-33(22,32)52-56(45,46)54-57(47,48)53-55(43,44)50-15-20-4-6-25(51-20)39-16-36-27-28(39)37-30(35)38-29(27)42/h11,16,18-25,40H,3-10,12-15,34H2,1-2H3,(H,43,44)(H,45,46)(H,47,48)(H3,35,37,38,42)/t18-,19+,20+,21-,22?,23+,24-,25-,31+,32+,33+/m1/s1
InChiKey: InChIKey=JVKCUZIHISTPQD-ZKPJVHMJSA-N

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