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Adenosine-3'-monophosphate

CAT: 0926-NA66252-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0926-NA66252-01Size:25 mg
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CAS Number
84-21-9
Synonyms
3'-AMP;3'-Adenylic acid; Adenosine- 3'- monophosphoric acid hydrate
MDL Number
MFCD00053063
Smiles
C1=NC (=C2C (=N1) N (C=N2) [C@H]3[C@@H] ([C@@H] ([C@H] (O3) CO) OP (=O) (O) O) O) N
Molecular Formula
C10H14N5O7P
Molecular Weight
347.22 g/mol
Controlled
No

Chemical Information

Adenosine 3'-Phosphate

3'-AMP is an adenosine 3'-phosphate with a monophosphate group at the 3'-position. It has a role as a mouse metabolite, an Escherichia coli metabolite and a human metabolite. It is a purine ribonucleoside 3'-monophosphate and an adenosine 3'-phosphate. It is a conjugate acid of a 3'-AMP(2-).

CAS Number84-21-9
PubChem CID41211
IUPAC Name[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl] dihydrogen phosphate
Molecular FormulaC10H14N5O7P
Molecular Weight347.22
XLogP-2.7
Topological Polar Surface Area186
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count11
Rotatable Bond Count4
Heavy Atom Count23
Formal Charge0
Complexity481
SMILES
C1=NC(=C2C(=N1)N(C=N2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)OP(=O)(O)O)O)N
InChI
InChI=1S/C10H14N5O7P/c11-8-5-9(13-2-12-8)15(3-14-5)10-6(17)7(4(1-16)21-10)22-23(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
LNQVTSROQXJCDD-KQYNXXCUSA-N
Chemical Structure
2D Structure
2D structure of Adenosine 3'-Phosphate
CAS: 84-21-9
CID: 41211
Formula: C10H14N5O7P
MW: 347.22
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight347.22
XLogP3-2.7
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count11
Rotatable Bond Count4
Exact Mass347.06308480
Monoisotopic Mass347.06308480
Topological Polar Surface Area186 Ų
Heavy Atom Count23
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 Count1
Compound Is CanonicalizedYes

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