chempirical

Disodium 5′-dtmp

C10H13N2Na2O8PCAS 33430-62-5366.17 g/mol

Open in Covalent MOL file
NOHOPO−O−OOONHONa+Na+
AlcoholEtherPhenolPhosphate

Properties

Molecular formula
C10H13N2Na2O8P
Molar mass
366.17 g/mol
Exact mass
366.0205 Da
logP
-1.75Crippen estimate
Polar surface area
151.3 Ų
H-bond donors / acceptors
4 / 7
Rotatable bonds
4
Stereocentres
R, S, Rin SMILES atom order

Identifiers

CAS number
33430-62-5
SMILES
Cc1cn([C@H]2C[C@H](O)[C@@H](COP([O-])([O-])=O)O2)c(=O)nc1O.[Na+].[Na+]
InChIKey
QCGVBSTURNXKRH-ZJWYQBPBSA-N
InChI
InChI=1S/C10H15N2O8P.2Na/c1-5-3-12(10(15)11-9(5)14)8-2-6(13)7(20-8)4-19-21(16,17)18;;/h3,6-8,13H,2,4H2,1H3,(H,11,14,15)(H2,16,17,18);;/t6-,7+,8+;;/m0../s1

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Names and synonyms

4 names
  • 5′-Thymidylic acid, sodium salt (1:2)
  • 5′-Thymidylic acid, disodium salt
  • Thymidine 5′-monophosphate disodium salt
  • Disodium TMP

Work with Disodium 5′-dtmp

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Thymidine 5′-diphosphate trisodium salt95648-78-587 % similar TTP tetrasodium salt3624-46-284 % similar Thymidine 5′-(tetrahydrogen triphosphate), sodium salt (1:3)27821-54-173 % similar Deoxyuridine 5′-monophosphate disodium salt42155-08-871 % similar Telbivudine3424-98-464 % similar Thymidine50-89-564 % similar 2′-Deoxycytidine 5′-phosphate disodium salt13085-50-257 % similar Deoxyguanosine 5′-monophosphate disodium salt33430-61-456 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

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