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Adenosine 5'-monophosphate monohydrate

CAT: 0572-TRC-A281830-500MGSize: 500 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-A281830-500MGSize:500 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
18422-05-4
Hazard Statement
Not a hazardous substance according to GHS.
Purity
>95% (HPLC)
Smiles
O.Nc1ncnc2c1ncn2[C@@H]3O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]3O
Molecular Formula
C10H14N5O7P . H2O
Molecular Weight
365.23
Shipping Conditions
Room Temperature
Storage Conditions
-20°C

Chemical Information

5'-Adenylic acid, monohydrate

Adenosine 5'-monophosphate monohydrate is a purine ribonucleoside monophosphate.

CAS Number18422-05-4
PubChem CID6419976
IUPAC Name[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate;hydrate
Molecular FormulaC10H16N5O8P
Molecular Weight365.24
Topological Polar Surface Area187
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count12
Rotatable Bond Count4
Heavy Atom Count24
Formal Charge0
Complexity481
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
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
InChIKey
ZOEFQKVADUBYKV-MCDZGGTQSA-N
Chemical Structure
2D Structure
2D structure of 5'-Adenylic acid, monohydrate
CAS: 18422-05-4
CID: 6419976
Formula: C10H16N5O8P
MW: 365.24
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight365.24
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count12
Rotatable Bond Count4
Exact Mass365.07364948
Monoisotopic Mass365.07364948
Topological Polar Surface Area187 Ų
Heavy Atom Count24
Formal Charge0
Complexity481
Isotope Atom Count0
Defined Atom Stereocenter Count4
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes