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Adenosine-5'-diphosphate trilithium salt

CAS No.:
31008-64-7
Catalog Number:
AG0031X9
Molecular Formula:
C10H15Li2N5O10P2
Molecular Weight:
441.0831
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
≥ 99% (HPLC)
1 week
United States
$67
- +
5g
≥ 99% (HPLC)
1 week
United States
$133
- +
25g
≥ 99% (HPLC)
1 week
United States
$272
- +
Product Description
Catalog Number:
AG0031X9
Chemical Name:
Adenosine-5'-diphosphate trilithium salt
CAS Number:
31008-64-7
Molecular Formula:
C10H15Li2N5O10P2
Molecular Weight:
441.0831
MDL Number:
MFCD06795763
IUPAC Name:
trilithium;[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-oxidophosphoryl] phosphate
InChI:
InChI=1S/C10H15N5O10P2.3Li/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:
LZGPPAHUZSOGHJ-MSQVLRTGSA-K
SMILES:
O[C@@H]1[C@@H](COP(=O)(OP(=O)(O)O)O)O[C@H]([C@@H]1O)n1cnc2c1ncnc2N.[Li].[Li]
EC Number:
250-431-5
Properties
Complexity:
618  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
4  
Defined Atom Stereocenter Count:
4  
Defined Bond Stereocenter Count:
0
Exact Mass:
445.054g/mol
Formal Charge:
0
Heavy Atom Count:
30  
Hydrogen Bond Acceptor Count:
14  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
444.999g/mol
Monoisotopic Mass:
445.054g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
241A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties