AMP (C10H14N5O7P): structure, properties and hazards

Names and identifiers

IUPAC name: [(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate
Synonyms: adenosine monophosphate, adenosine 5'-monophosphate, adenylic acid
+ 39 more
5-AMP, 5'-adenylic acid, Adenosine monophosphate, adenosine phosphate, Phosphentaside, adenosine 5'-phosphate, Adenovite, Cardiomone, Lycedan, Phosaden, 5'-AMP, adenylate, My-B-Den, Myoston, Vitamin B8, Adenyl, a-5mp, 5'-adenosine monophosphate, Fosfato de adenosina, Adenosine 5'-(dihydrogen phosphate), Phosphate d'adenosine, Adenosini phosphas, PAdo, adenosine-5'P, NSC-20264, Ado5'P, 5'-O-phosphonoadenosine, Adenosine, mono(dihydrogen phosphate) (ester), [(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate, A 5MP, DTXSID5022560, CHEBI:16027, 415SHH325A, DTXCID002560, {[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}phosphonic acid, NSC20264, adenosina fosfato, (((2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl)methoxy)phosphonic acid, ((2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl)methyl dihydrogen phosphate
Molecular formula: C₁₀H₁₄N₅O₇P
Empirical formula: C₁₀H₁₄N₅O₇P
Molecular weight: 347.22 g/mol
Exact mass: 347.06308
CAS number: 61-19-8
PubChem CID: 6083
Canonical SMILES: C1=NC(=C2C(=N1)N(C=N2)C3C(C(C(O3)COP(=O)(O)O)O)O)N
Isomeric 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
InChI: InChI=1S/C10H14N5O7P/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)/t4-,6-,7-,10-/m1/s1
InChIKey: UDMBCSSLTHHNCD-KQYNXXCUSA-N
Molfile

Names, InChI and the identifiers from PubChem, retrieved 2026-10-14.

Physical properties

Solubility in water: INSOL IN ALCOHOL[1]
2 values
From Hazardous Substances Data Bank (HSDB), the most authoritative source here.
Value As written Source
– ALMOST INSOL IN COLD H2O /YEAST ADENYLIC ACID MONO-HCL/ [1] Hazardous Substances Data Bank (HSDB)cites Hawley, G.G. The Condensed Chemical Dictionary. 9th ed. New York: Van Nostrand Reinhold Co., 1977., p. 17
–shown INSOL IN ALCOHOL [1] Hazardous Substances Data Bank (HSDB)cites American Society of Hospital Pharmacists. Data supplied on contract from American Hospital Formulary Service and other current ASHP sources., p. 1967

Value	As written	Source
–	ALMOST INSOL IN COLD H2O /YEAST ADENYLIC ACID MONO-HCL/	[1] Hazardous Substances Data Bank (HSDB)cites Hawley, G.G. The Condensed Chemical Dictionary. 9th ed. New York: Van Nostrand Reinhold Co., 1977., p. 17
–shown	INSOL IN ALCOHOL	[1] Hazardous Substances Data Bank (HSDB)cites American Society of Hospital Pharmacists. Data supplied on contract from American Hospital Formulary Service and other current ASHP sources., p. 1967

Each value as its source reports it, with the source's number after it (listed under References). Where several sources report a property, the row shows the value most of them agree on, the rule the app uses; open the values to see every one.

Calculated

Heavy atoms: 23
Rings: 3
Aromatic rings: 2
Fraction sp³ carbons (Fsp3): 0.5
H-bond donors: 5
H-bond acceptors: 9 computed here · PubChem 11
Rotatable bonds: 4
TPSA (Å²): 186.1 computed here · PubChem 186
Formal charge: 0
XLogP3: -3.5 PubChem
Complexity: 481 PubChem
Stereocenters: 4 definedCIP: C11: R · C13: R · C20: S · C22: R
Double-bond geometry: None specified
Point group: C1 of one 3D conformer with its hydrogens, by Athanor’s engine (as in the app)

Elemental analysis

C34.59%
H4.06%
N20.17%
O32.25%
P8.92%

Isotope pattern

Each peak is a nominal mass with its abundance-weighted exact mass, as a percentage of the tallest, from IUPAC natural isotope abundances.

Computed from the structure with RDKit 2026.09 when this page was built, beside PubChem's own computed values from its record; where the two differ, both are shown.

Predicted

log P: -1.86 Crippen (Wildman and Crippen 1999)
log S (water solubility): -0.84 ESOL (Delaney 2004), log mol/L
Synthetic accessibility: 3.8 SA score, 1 easy to 10 hard (Ertl and Schuffenhauer 2009)

Drug-likeness: Lipinski’s rule of five

Molecular weight ≤ 500: 347.22
log P ≤ 5 (Crippen): -1.86
H-bond donors ≤ 5: 5
H-bond acceptors ≤ 10: 9

Passes all four rules.

¹³C NMR shifts, predicted

Predictions, not measurements; each names its method. A measured log P, where a source reports one, is under Physical properties.

Safety

This chemical does not meet GHS hazard criteria for 97.7% (127 of 130) of all reports.[2]

Safety data sheets on the supplier’s page: Key Organics/BIONET, eMolecules, AKos Consulting & Solutions.

Always read the supplier’s safety data sheet before working with it.

Spectra

Experimental spectra held by these sources; each link opens the source's own record.

Literature

Reading PubChem, OpenAlex and GSRS…

Bioactivity

Reading ChEMBL…

References

[1]Hazardous Substances Data Bank (HSDB) · Public domain (US NLM) · via PubChem · retrieved 2026-10-14
[2]European Chemicals Agency (ECHA) · ECHA legal notice: reuse with acknowledgement · via PubChem · retrieved 2026-10-14
[3]Human Metabolome Database (HMDB) · Linked only · via PubChem · retrieved 2026-10-14
[4]SpectraBase · Linked only · via PubChem · retrieved 2026-10-14
[5]MassBank of North America (MoNA) · CC BY 4.0 · via PubChem · retrieved 2026-10-14
[6]NIST Mass Spectrometry Data Center · Linked only · via PubChem · retrieved 2026-10-14
[7]MassBank Europe · Linked only · via PubChem · retrieved 2026-10-14
·Calculated values: computed by Athanor with RDKit 2026.09 from the structure.
·Literature on PubChem

Data last updated 2026-10-14.

Similar structures

Tanimoto similarity on Morgan fingerprints (radius 2) with RDKit 2026.09, at least 45%.

Isomers in the library

dGMP