MRS 2179 TETRASODIUM SALT

101204-49-3

MFCD08544553

C11 H13 N5 O9 P2 . 4 Na

513.158

InChI=1S/C11H17N5O9P2.4Na/c1-12-10-9-11(14-4-13-10)16(5-15-9)8-2-6(25-27(20,21)22)7(24-8)3-23-26(17,18)19;;;;/h4-8H,2-3H2,1H3,(H,12,13,14)(H2,17,18,19)(H2,20,21,22);;;;/q;4*+1/p-4/t6-,7+,8+;;;;/m0..../s1

InChIKey=XLPQPYQWGFCKEY-ZKRIHRHSSA-J

CNc1c2c(ncn1)n(cn2)[C@H]3C[C@@H]([C@H](O3)COP(=O)([O-])[O-])OP(=O)([O-])[O-].[Na+].[Na+].[Na+].[Na+]

H bond donor:1

H bond acceptor:14

XLogP3:-1.0

Bulk/Fine:F