Home Aminos Sodium ((2R,3S,5R)-5-(6-amino-9H-purin-9-yl)-3-hydroxytetrahydrofuran-2-yl)methyl dihydrogentriphosphate

Sodium ((2R,3S,5R)-5-(6-amino-9H-purin-9-yl)-3-hydroxytetrahydrofuran-2-yl)methyl dihydrogentriphosphate

CAS No.:
74299-50-6
Catalog Number:
AG008QH5
Molecular Formula:
C10H14N5Na2O12P3
Molecular Weight:
535.1453
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Product Description
Catalog Number:
AG008QH5
Chemical Name:
Sodium ((2R,3S,5R)-5-(6-amino-9H-purin-9-yl)-3-hydroxytetrahydrofuran-2-yl)methyl dihydrogentriphosphate
CAS Number:
74299-50-6
Molecular Formula:
C10H14N5Na2O12P3
Molecular Weight:
535.1453
MDL Number:
MFCD00080335
IUPAC Name:
disodium;[[[(2R,3S,5R)-5-(6-aminopurin-9-yl)-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-oxidophosphoryl] hydrogen phosphate
InChI:
InChI=1S/C10H16N5O12P3.2Na/c11-9-8-10(13-3-12-9)15(4-14-8)7-1-5(16)6(25-7)2-24-29(20,21)27-30(22,23)26-28(17,18)19;;/h3-7,16H,1-2H2,(H,20,21)(H,22,23)(H2,11,12,13)(H2,17,18,19);;/q;2*+1/p-2/t5-,6+,7+;;/m0../s1
InChI Key:
JEKDCIBJADJZSK-OJSHLMAWSA-L
SMILES:
O[C@H]1C[C@@H](O[C@@H]1COP(=O)(OP(=O)(OP(=O)(O)[O-])[O-])O)n1cnc2c1ncnc2N.[Na+].[Na+]
Properties
Complexity:
758  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3  
Defined Atom Stereocenter Count:
3  
Defined Bond Stereocenter Count:
0
Exact Mass:
534.965g/mol
Formal Charge:
0
Heavy Atom Count:
32  
Hydrogen Bond Acceptor Count:
16  
Hydrogen Bond Donor Count:
4  
Isotope Atom Count:
0
Molecular Weight:
535.146g/mol
Monoisotopic Mass:
534.965g/mol
Rotatable Bond Count:
8  
Topological Polar Surface Area:
265A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties