Sodium 3′-thymidylate 5′-(dihydrogen phosphate) (2:1)
CAS Registry Number®
386229-77-2
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CAS Name
Sodium 3′-thymidylate 5′-(dihydrogen phosphate) (2:1)Molecular Formula
C10H16N2O11P2.2NaCite this Page
Sodium 3′-thymidylate 5′-(dihydrogen phosphate) (2:1). CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=386229-77-2 (retrieved ) (CAS RN: 386229-77-2). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).Other Names and Identifiers
InChI
InChI=1S/C10H16N2O11P2.2Na/c1-5-3-12(10(14)11-9(5)13)8-2-6(23-25(18,19)20)7(22-8)4-21-24(15,16)17;;/h3,6-8H,2,4H2,1H3,(H,11,13,14)(H2,15,16,17)(H2,18,19,20);;/t6-,7+,8+;;/m0../s1
InChIKey
InChIKey=AGIHHMDKBBEVAC-ZJWYQBPBSA-N
SMILES
O=C1N([C@@H]2O[C@H](COP(=O)(O)O)[C@@H](OP(=O)(O)O)C2)C=C(C)C(=O)N1.[Na]
Canonical SMILES
[Na].O=C1NC(=O)N(C=C1C)C2OC(COP(=O)(O)O)C(OP(=O)(O)O)C2
Other Names for this Substance
- 3′-Thymidylic acid, 5′-(dihydrogen phosphate), sodium salt (1:2)
- 3′-Thymidylic acid, 5′-(dihydrogen phosphate), disodium salt
- Sodium 3′-thymidylate 5′-(dihydrogen phosphate) (2:1)
Deleted or Replaced CAS Registry Numbers
1262326-79-3
