Mol:
27821-45-0.mol by:chem960.com
ChemDraw08031019472D
…………
0 0 0 0 0 0 0 0 0 0 0 0
5.4386 9.9661 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.2893 9.9661 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.7193 11.5361 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.3597 12.3211 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0
2.1447 13.6808 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.0000 13.1061 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0
0.5747 10.9615 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0
12.8945 6.8404 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0
10.8012 6.8404 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0
1 2 1 0 0 0 0
2 3 1 0 0 0 0
3 4 1 0 0 0 0
4 5 1 0 0 0 0
5 6 1 0 0 0 0
6 7 1 0 0 0 0
7 8 1 0 0 0 0
8 9 1 0 0 0 0
9 4 2 0 0 0 0
8 10 1 0 0 0 0
10 11 1 0 0 0 0
11 12 1 0 0 0 0
12 13 1 0 0 0 0
13 14 1 0 0 0 0
14 10 1 0 0 0 0
14 15 1 0 0 0 0
13 16 1 0 0 0 0
12 17 1 0 0 0 0
17 18 1 0 0 0 0
7 19 2 0 0 0 0
5 20 2 0 0 0 0
2 21 2 0 0 0 0
2 22 1 0 0 0 0
22 23 1 0 0 0 0
23 24 2 0 0 0 0
23 25 1 0 0 0 0
23 26 1 0 0 0 0
M CHG 1 25 -1
M CHG 1 26 -1
M CHG 1 27 1
M CHG 1 28 1
M END
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尿苷-5'-二磷酸二钠盐 MDL: MFCD00084679
尿苷-5'-二磷酸二钠盐 InChIKey: ZQKVPFKBNNAXCE-WFIJOQBCSA-L
尿苷-5'-二磷酸二钠盐 Inchi: 1S/C9H14N2O12P2.2Na.H2O/c12-5-1-2-11(9(15)10-5)8-7(14)6(13)4(22-8)3-21-25(19,20)23-24(16,17)18;;;/h1-2,4,6-8,13-14H,3H2,(H,19,20)(H,10,12,15)(H2,16,17,18);;;1H2/q;2*+1;/p-2/t4-,6-,7-,8-;;;/m1.../s1
尿苷-5'-二磷酸二钠盐 SMILES: P(=O)([O-])(OP(=O)([O-])O[H])OC([H])([H])[C@]1([H])[C@]([H])([C@]([H])([C@]([H])(N2C([H])=C([H])C(N([H])C2=O)=O)O1)O[H])O[H].[Na+].[Na+].O([H])[H]
尿苷-5'-二磷酸二钠盐 BRN: 8817400