chempirical

Adenosine 5'-monophosphate monohydrate

C10H16N5O8PCAS 18422-05-4365.24 g/mol

Open in Covalent MOL file
NNNNOOPOHOHOHOOHNH2H2O
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. Search the SDS library

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 disodium4578-31-8Salt Adenosine 5'-monophosphate sodium salt13474-03-8Salt

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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