N,N-DIBENZOYL-2',3'-DIBENZOATE-5'-(HYDROGEN PHOSPHONATE)-ADENOSINE, COMPD WITH TRIETNYLAMINE (1:1)

CAS No.
1123103-72-9
CCD No.
CCD05636493
Formula
C38 H30 N5 O10 P . C6 H15 N
MolWeight
848.846

Basic Information

Product Name: N,N-DIBENZOYL-2',3'-DIBENZOATE-5'-(HYDROGEN PHOSPHONATE)-ADENOSINE, COMPD WITH TRIETNYLAMINE (1:1)
CAS: 1123103-72-9
English Synonyms: N,N-DIBENZOYL-2',3'-DIBENZOATE-5'-(HYDROGEN PHOSPHONATE)-ADENOSINE, COMPD WITH TRIETNYLAMINE (1:1)
MDL Number.: MFCD20487873
H bond acceptor: 15
H bond donor: 1
Smile: CCN(CC)CC.c1ccc(cc1)C(=O)N(c2c3c(ncn2)n(cn3)[C@H]4[C@@H]([C@@H]([C@H](O4)COP(=O)O)OC(=O)c5ccccc5)OC(=O)c6ccccc6)C(=O)c7ccccc7
InChi: InChI=1S/C38H30N5O10P.C6H15N/c44-34(24-13-5-1-6-14-24)43(35(45)25-15-7-2-8-16-25)33-29-32(39-22-40-33)42(23-41-29)36-31(53-38(47)27-19-11-4-12-20-27)30(28(51-36)21-50-54(48)49)52-37(46)26-17-9-3-10-18-26;1-4-7(5-2)6-3/h1-20,22-23,28,30-31,36,54H,21H2,(H,48,49);4-6H2,1-3H3/t28-,30-,31-,36-;/m1./s1
InChiKey: InChIKey=BAHFSIKILKBFOD-OKHVUQLPSA-N

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