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56-65-5 | Adenosine triphosphate
CAS No: 56-65-5 Catalog No: AG0038MQ MDL No:MFCD00065467
Product Description
Catalog Number:
AG0038MQ
Chemical Name:
Adenosine triphosphate
CAS Number:
56-65-5
Molecular Formula:
C10H16N5O13P3
Molecular Weight:
507.1810
MDL Number:
MFCD00065467
IUPAC Name:
[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate
InChI:
InChI=1S/C10H16N5O13P3/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(26-10)1-25-30(21,22)28-31(23,24)27-29(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H,23,24)(H2,11,12,13)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1
InChI Key:
ZKHQWZAMYRWXGA-KQYNXXCUSA-N
SMILES:
O[C@@H]1[C@@H](COP(=O)(OP(=O)(OP(=O)(O)O)O)O)O[C@H]([C@@H]1O)n1cnc2c1ncnc2N
EC Number:
200-283-2
UNII:
8L70Q75FXE
Properties
Complexity:
800
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
4
Defined Bond Stereocenter Count:
0
Exact Mass:
506.996g/mol
Formal Charge:
0
Heavy Atom Count:
31
Hydrogen Bond Acceptor Count:
17
Hydrogen Bond Donor Count:
7
Isotope Atom Count:
0
Molecular Weight:
507.181g/mol
Monoisotopic Mass:
506.996g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
279A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-5.7
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