2'-Deoxyuridine-5'-diphosphate sodium salt

C₉H₁₂N₂Na₂O₁₁P₂CAS 102814-06-2432.13 g/mol

Open in Covalent MOL file

Alcohol Ether Phosphate

Properties

Molecular formula: C₉H₁₂N₂Na₂O₁₁P₂
Molar mass: 432.13 g/mol
Exact mass: 431.9712 Da
logP: -8.84Crippen estimate
Polar surface area: 203.3 Å²
H-bond donors / acceptors: 3 / 10
Rotatable bonds: 6
Stereocentres: S, R, Rin SMILES atom order

Identifiers

CAS number

102814-06-2

SMILES

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

InChIKey

BALXRPMGWFALFO-CDNBRZBRSA-L

InChI

InChI=1S/C9H14N2O11P2.2Na/c12-5-3-8(11-2-1-7(13)10-9(11)14)21-6(5)4-20-24(18,19)22-23(15,16)17;;/h1-2,5-6,8,12H,3-4H2,(H,18,19)(H,10,13,14)(H2,15,16,17);;/q;2*+1/p-2/t5-,6+,8+;;/m0../s1

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Names and synonyms

1 names

2'-Deoxyuridine 5'-diphosphate sodium salt

Work with 2'-Deoxyuridine-5'-diphosphate sodium 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'-Deoxycytidine-5'-triphosphate trisodium salt109909-44-664 % similar 2'-Deoxyuridine-5'-triphosphate trisodium salt102814-08-461 % similar Thymidine 5′-(tetrahydrogen triphosphate), sodium salt (1:3)27821-54-158 % similar Adenosine 5′-(trihydrogen diphosphate), 2′-deoxy-, sodium salt (1:2)72003-83-957 % similar Sodium 2′-deoxyguanosine 5′-(tetrahydrogen triphosphate) (3:1)93919-41-656 % similar Cytidine 5′-(tetrahydrogen triphosphate), 2′-deoxy-, sodium salt (1:2)102783-51-751 % similar Uridine-5'-diphosphoglucose disodium117756-22-651 % similar Cytidine 5′-(trihydrogen diphosphate), 2′-deoxy-, trisodium salt, hydrate151151-32-549 % similar

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

Elsewhere

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