2'-Deoxyguanosine-5'-diphosphate trisodium salt

C₁₀H₁₂N₅Na₃O₁₀P₂CAS 102783-74-4493.15 g/mol

Open in Covalent MOL file

Alcohol Ether Phosphate Primary amine

Properties

Molecular formula: C₁₀H₁₂N₅Na₃O₁₀P₂
Molar mass: 493.15 g/mol
Exact mass: 492.9752 Da
logP: -12.31Crippen estimate
Polar surface area: 240.8 Å²
H-bond donors / acceptors: 3 / 13
Rotatable bonds: 6
Stereocentres: S, R, Rin SMILES atom order

Identifiers

CAS number

102783-74-4

SMILES

C1[C@@H]([C@H](O[C@H]1N2C=NC3=C2N=C(NC3=O)N)COP(=O)([O-])OP(=O)([O-])[O-])O.[Na+].[Na+].[Na+]

InChIKey

DRQVDNDKEVNMJT-BIHLCPNHSA-K

InChI

InChI=1S/C10H15N5O10P2.3Na/c11-10-13-8-7(9(17)14-10)12-3-15(8)6-1-4(16)5(24-6)2-23-27(21,22)25-26(18,19)20;;;/h3-6,16H,1-2H2,(H,21,22)(H2,18,19,20)(H3,11,13,14,17);;;/q;3*+1/p-3/t4-,5+,6+;;;/m0.../s1

Weigh it out

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

Work with 2'-Deoxyguanosine-5'-diphosphate 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

Deoxyadenosine 5′-monophosphate disodium salt2922-74-959 % similar Adenosine 5′-(trihydrogen diphosphate), 2′-deoxy-, sodium salt (1:2)72003-83-958 % similar Adenosine 5′-(tetrahydrogen triphosphate), 2′-deoxy-, disodium salt74299-50-657 % similar Inosine 5′-(tetrahydrogen triphosphate), 2′-deoxy-, trisodium salt95648-77-457 % similar Thymidine 5′-diphosphate trisodium salt95648-78-556 % similar TTP tetrasodium salt3624-46-255 % similar Cytidine 5′-(trihydrogen diphosphate), 2′-deoxy-, trisodium salt, hydrate151151-32-554 % similar Deoxyguanosine 5′-monophosphate disodium salt33430-61-453 % similar

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

Elsewhere

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