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16178-48-6 | Adenosine 5'-(trihydrogen diphosphate), sodium salt (1:2)
CAS No: 16178-48-6 Catalog No: AG001VVJ MDL No:MFCD00150926
Product Description
Catalog Number:
AG001VVJ
Chemical Name:
Adenosine 5'-(trihydrogen diphosphate), sodium salt (1:2)
CAS Number:
16178-48-6
Molecular Formula:
C10H13N5Na2O10P2
Molecular Weight:
471.1648
MDL Number:
MFCD00150926
IUPAC Name:
disodium;[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-oxidophosphoryl] hydrogen phosphate
InChI:
InChI=1S/C10H15N5O10P2.2Na/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;2*+1/p-2/t4-,6-,7-,10-;;/m1../s1
InChI Key:
ORKSTPSQHZNDSC-IDIVVRGQSA-L
SMILES:
O[C@@H]1[C@@H](COP(=O)(OP(=O)([O-])[O-])O)O[C@H]([C@@H]1O)n1cnc2c1ncnc2N.[Na+].[Na+]
EC Number:
240-314-7
Properties
Complexity:
627
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
4
Defined Bond Stereocenter Count:
0
Exact Mass:
470.993g/mol
Formal Charge:
0
Heavy Atom Count:
29
Hydrogen Bond Acceptor Count:
14
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
471.166g/mol
Monoisotopic Mass:
470.993g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
238A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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