2'-Deoxyuridine-5'-triphosphate trisodium salt

C₉H₁₅N₂O₁₄P₃CAS 102814-08-4468.14 g/mol

Open in Covalent MOL file

Alcohol Ether Phosphate

Properties

Molecular formula: C₉H₁₅N₂O₁₄P₃
Molar mass: 468.14 g/mol
Exact mass: 467.9736 Da
logP: -1.47Crippen estimate
Polar surface area: 244.1 Å²
H-bond donors / acceptors: 6 / 10
Rotatable bonds: 8
Stereocentres: S, R, Rin SMILES atom order

Identifiers

CAS number

102814-08-4

SMILES

C1[C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O

InChIKey

AHCYMLUZIRLXAA-SHYZEUOFSA-N

InChI

InChI=1S/C9H15N2O14P3/c12-5-3-8(11-2-1-7(13)10-9(11)14)23-6(5)4-22-27(18,19)25-28(20,21)24-26(15,16)17/h1-2,5-6,8,12H,3-4H2,(H,18,19)(H,20,21)(H,10,13,14)(H2,15,16,17)/t5-,6+,8+/m0/s1

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

Names and synonyms

1 names

Deoxyuridine triphosphate

Work with 2'-Deoxyuridine-5'-triphosphate trisodium 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

2'-Deoxyuridine-5'-diphosphate sodium salt102814-06-261 % similar Deoxyadenosine triphosphate1927-31-755 % similar Deoxycytidine monophosphate1032-65-149 % similar Uridine triphosphate63-39-847 % similar Cytidine 5′-(tetrahydrogen triphosphate), 2′-deoxy-, sodium salt (1:2)102783-51-745 % similar Cytidine triphosphate65-47-445 % similar Uridine diphosphate58-98-044 % similar Deoxyguanosine monophosphate902-04-542 % similar

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

Elsewhere

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