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81012-86-4 | Adenosine-2'-monophosphate
CAS No: 81012-86-4 Catalog No: AG005HIT MDL No:MFCD00022827
Product Description
Catalog Number:
AG005HIT
Chemical Name:
Adenosine-2'-monophosphate
CAS Number:
81012-86-4
Molecular Formula:
C10H14N5O7P
Molecular Weight:
347.2212
MDL Number:
MFCD00022827
IUPAC Name:
[2-(6-aminopurin-9-yl)-4-hydroxy-5-(hydroxymethyl)oxolan-3-yl] dihydrogen phosphate
InChI:
InChI=1S/C10H14N5O7P/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(22-23(18,19)20)6(17)4(1-16)21-10/h2-4,6-7,10,16-17H,1H2,(H2,11,12,13)(H2,18,19,20)
InChI Key:
QDFHPFSBQFLLSW-UHFFFAOYSA-N
SMILES:
OCC1OC(C(C1O)OP(=O)(O)O)n1cnc2c1ncnc2N
Properties
Complexity:
481
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
347.063g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
11
Hydrogen Bond Donor Count:
5
Isotope Atom Count:
0
Molecular Weight:
347.224g/mol
Monoisotopic Mass:
347.063g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
186A^2
Undefined Atom Stereocenter Count:
4
Undefined Bond Stereocenter Count:
0
XLogP3:
-2.1
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