Adenosine 5'-monophosphate monohydrate

C10H16N5O8PCAS 18422-05-4365.24 g/mol

Open in Covalent MOL file
NNNNOOPOOHHOHOOHNH2H2O
AlcoholEtherPhosphatePrimary amine

Properties

Molecular formula
C10H16N5O8P
Molar mass
365.24 g/mol
Exact mass
365.0736 Da
logP
-2.69Crippen estimate
Polar surface area
217.6 Ų
H-bond donors / acceptors
5 / 9
Rotatable bonds
4
Stereocentres
R, R, S, Rin SMILES atom order

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless.

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Identifiers

CAS number
18422-05-4
SMILES
C1=NC(=C2C(=N1)N(C=N2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N.O
InChIKey
ZOEFQKVADUBYKV-MCDZGGTQSA-N
InChI
InChI=1S/C10H14N5O7P.H2O/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(22-10)1-21-23(18,19)20;/h2-4,6-7,10,16-17H,1H2,(H2,11,12,13)(H2,18,19,20);1H2/t4-,6-,7-,10-;/m1./s1

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Names and synonyms

1 names
  • 5'-Adenylic acid, monohydrate

Work with Adenosine 5'-monophosphate monohydrate

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

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

Adenosine monophosphate61-19-8Anhydrous Vidarabine phosphate29984-33-6Anhydrous, diastereomer Adenosine 5'-monophosphate sodium salt13474-03-8Salt Adenosine 5′-monophosphate disodium4578-31-8Salt

Similar compounds

Adenosine diphosphate58-64-078 % similar 5′-ATP56-65-576 % similar Inosinic acid131-99-774 % similar Polyinosinic acid30918-54-874 % similar Sodium adenosine 5′-diphosphate20398-34-973 % similar ATP disodium987-65-571 % similar Fludarabine phosphate75607-67-969 % similar Adenosine 5′-(trihydrogen diphosphate), trilithium salt31008-64-765 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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