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2092-65-1 | Adenosine 5'-(trihydrogen pyrophosphate), sodium salt (1:3)
CAS No: 2092-65-1 Catalog No: AG002K3P MDL No:MFCD00065987
Product Description
Catalog Number:
AG002K3P
Chemical Name:
Adenosine 5'-(trihydrogen pyrophosphate), sodium salt (1:3)
CAS Number:
2092-65-1
Molecular Formula:
C10H12N5Na3O10P2
Molecular Weight:
493.1466
MDL Number:
MFCD00065987
IUPAC Name:
trisodium;[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-oxidophosphoryl] phosphate
InChI:
InChI=1S/C10H15N5O10P2.3Na/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(24-10)1-23-27(21,22)25-26(18,19)20;;;/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H2,11,12,13)(H2,18,19,20);;;/q;3*+1/p-3/t4-,6-,7-,10-;;;/m1.../s1
InChI Key:
KWEUUBDPVVHQAL-MSQVLRTGSA-K
SMILES:
OC1C(COP(=O)(OP(=O)([O-])[O-])[O-])OC(C1O)n1cnc2c1ncnc2N.[Na+].[Na+].[Na+]
EC Number:
218-249-0
Properties
Complexity:
618
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
4
Defined Atom Stereocenter Count:
4
Defined Bond Stereocenter Count:
0
Exact Mass:
492.975g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
14
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
493.148g/mol
Monoisotopic Mass:
492.975g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
241A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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