TTP tetrasodium salt

C10H13N2Na4O14P3CAS 3624-46-2570.09 g/mol

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

Properties

Molecular formula
C10H13N2Na4O14P3
Molar mass
570.09 g/mol
Exact mass
569.9170 Da
logP
-2.27Crippen estimate
Polar surface area
244.4 Ų
H-bond donors / acceptors
6 / 11
Rotatable bonds
8
Stereocentres
R, S, Rin SMILES atom order

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless.

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Identifiers

CAS number
3624-46-2
SMILES
Cc1cn([C@H]2C[C@H](O)[C@@H](COP([O-])(=O)OP([O-])(=O)OP([O-])([O-])=O)O2)c(=O)nc1O.[Na+].[Na+].[Na+].[Na+]
InChI

The InChI we hold for this record describes the parent acid and the metal separately rather than the salt above, so it is not shown here.

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Names and synonyms

3 names
  • Thymidine 5′-(tetrahydrogen triphosphate), sodium salt (1:4)
  • Thymidine 5′-(tetrahydrogen triphosphate), tetrasodium salt
  • Thymidine 5′-triphosphate, tetrasodium salt

Work with TTP tetrasodium salt

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

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

Thymidine 5′-(tetrahydrogen triphosphate), sodium salt (1:3)27821-54-1Salt

Similar compounds

Thymidine 5′-diphosphate trisodium salt95648-78-597 % similar Disodium 5′-dTMP33430-62-584 % similar Deoxyuridine 5′-monophosphate disodium salt42155-08-860 % similar Telbivudine3424-98-458 % similar Thymidine50-89-558 % similar Cytidine 5′-(trihydrogen diphosphate), 2′-deoxy-, trisodium salt, hydrate151151-32-557 % similar 2'-Deoxycytidine-5'-triphosphate trisodium salt109909-44-656 % similar 2'-Deoxyguanosine-5'-diphosphate trisodium salt102783-74-455 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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