chempirical

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

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+]
InChIKey
QOJFCDIMBHCWCP-ZKRIHRHSSA-N
InChI
InChI=1S/C10H17N2O14P3.4Na/c1-5-3-12(10(15)11-9(5)14)8-2-6(13)7(24-8)4-23-28(19,20)26-29(21,22)25-27(16,17)18;;;;/h3,6-8,13H,2,4H2,1H3,(H,19,20)(H,21,22)(H,11,14,15)(H2,16,17,18);;;;/t6-,7+,8+;;;;/m0..../s1

Weigh it out

Type any one amount. The others follow from the molar mass.

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

Similar compounds

Thymidine 5′-diphosphate trisodium salt95648-78-597 % similar Disodium 5′-dtmp33430-62-584 % similar Thymidine 5′-(tetrahydrogen triphosphate), sodium salt (1:3)27821-54-182 % 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

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

Elsewhere

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