Molecular Structure:
CAS No.:
31192-08-2
Product Name.:
CCD No.:CCD03290457
Formula:C15 H15 N4 O9 P S . 2 Na
MolWeight:504.323
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| Product Name： | 5'-XANTHYLIC ACID, 2-S-(2-FURANYLMETHYL)-2-THIO-, DISODIUM SALT |
| CAS： | 31192-08-2 |
| English Synonyms： | 5'-XANTHYLIC ACID, 2-S-(2-FURANYLMETHYL)-2-THIO-, DISODIUM SALT |
| MDL Number.： | MFCD17019455 |
| H bond acceptor： | 13 |
| H bond donor： | 3 |
| Smile： | c1cc(oc1)CSc2[nH]c3c(c(=O)n2)ncn3[C@H]4[C@@H]([C@@H]([C@H](O4)COP(=O)([O-])[O-])O)O.[Na+].[Na+] |
| InChi： | InChI=1S/C15H17N4O9PS.2Na/c20-10-8(4-27-29(23,24)25)28-14(11(10)21)19-6-16-9-12(19)17-15(18-13(9)22)30-5-7-2-1-3-26-7;;/h1-3,6,8,10-11,14,20-21H,4-5H2,(H,17,18,22)(H2,23,24,25);;/q;2*+1/p-2/t8-,10-,11-,14-;;/m1../s1 |
| InChiKey： | InChIKey=AKLUPQCBRDHYRL-JQCMHQHXSA-L |
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