N1-Methyl-pseudouridine-5'-triphosphate

C₁₀H₁₇N₂O₁₅P₃CAS 1428903-59-6498.17 g/mol

Open in Covalent MOL file

Alcohol Ether Phosphate

Properties

Molecular formula: C₁₀H₁₇N₂O₁₅P₃
Molar mass: 498.17 g/mol
Exact mass: 497.9842 Da
logP: -2.42Crippen estimate
Polar surface area: 264.4 Å²
H-bond donors / acceptors: 7 / 11
Rotatable bonds: 8
Stereocentres: S, R, S, Rin SMILES atom order

Identifiers

CAS number

1428903-59-6

SMILES

CN1C=C(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O

InChIKey

OLRONOIBERDKRE-XUTVFYLZSA-N

InChI

InChI=1S/C10H17N2O15P3/c1-12-2-4(9(15)11-10(12)16)8-7(14)6(13)5(25-8)3-24-29(20,21)27-30(22,23)26-28(17,18)19/h2,5-8,13-14H,3H2,1H3,(H,20,21)(H,22,23)(H,11,15,16)(H2,17,18,19)/t5-,6-,7-,8+/m1/s1

Weigh it out

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

Names and synonyms

1 names

N1-Methylpseudouridine-5'-triphosphate

Work with N1-Methyl-pseudouridine-5'-triphosphate

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'-triphosphate trisodium salt102814-08-447 % similar Uridine triphosphate63-39-845 % similar Cytidine triphosphate65-47-444 % similar Uridine diphosphate58-98-043 % similar Adenosine triphosphate56-65-543 % similar Guanosine diphosphate146-91-841 % similar Adenosine diphosphate58-64-040 % similar Diquafosol59985-21-639 % similar

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

Same formula

5-Methyluridine 5′-triphosphate23198-01-8

Elsewhere

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