N,N-DIMETHYLPRADIMICIN FA-2

CAS No.
131426-59-0
CCD No.
CCD00240230
Formula
C41 H46 N2 O19 . 5 H2 O
MolWeight
960.883

Basic Information

Product Name: N,N-DIMETHYLPRADIMICIN FA-2
CAS: 131426-59-0
English Synonyms: N,N-DIMETHYLPRADIMICIN FA-2
MDL Number.: MFCD01684199
H bond acceptor: 21
H bond donor: 11
Smile: Cc1cc2c(c(c1C(=O)N[C@H](CO)C(=O)O)O)-c3c(cc4c(c3O)C(=O)c5cc(cc(c5C4=O)O)OC)[C@@H]([C@H]2O[C@H]6[C@@H]([C@H]([C@H]([C@H](O6)C)N(C)C)O[C@H]7[C@@H]([C@H]([C@@H](CO7)O)O)O)O)O.O.O.O.O.O
InChi: InChI=1S/C41H46N2O19.5H2O/c1-12-6-18-25(32(51)22(12)38(55)42-19(10-44)39(56)57)24-16(9-17-26(33(24)52)29(48)15-7-14(58-5)8-20(45)23(15)28(17)47)30(49)36(18)61-41-35(54)37(27(43(3)4)13(2)60-41)62-40-34(53)31(50)21(46)11-59-40;;;;;/h6-9,13,19,21,27,30-31,34-37,40-41,44-46,49-54H,10-11H2,1-5H3,(H,42,55)(H,56,57);5*1H2/t13-,19-,21-,27+,30+,31+,34-,35-,36+,37+,40+,41+;;;;;/m1...../s1
InChiKey: InChIKey=ZJURTERPQTVJPQ-DLTUFBIGSA-N

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