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6757-06-8 | Sodium ((2R,3S,4R,5R);-5-(4-amino-2-oxopyrimidin-1(2H);-yl);-3,4-dihydroxytetrahydrofuran-2-yl);methyl phosphate
CAS No: 6757-06-8 Catalog No: AG003P7E MDL No:MFCD00064355
Product Description
Catalog Number:
AG003P7E
Chemical Name:
Sodium ((2R,3S,4R,5R);-5-(4-amino-2-oxopyrimidin-1(2H);-yl);-3,4-dihydroxytetrahydrofuran-2-yl);methyl phosphate
CAS Number:
6757-06-8
Molecular Formula:
C9H12N3Na2O8P
Molecular Weight:
367.1602
MDL Number:
MFCD00064355
IUPAC Name:
disodium;[(2R,3S,4R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl phosphate
InChI:
InChI=1S/C9H14N3O8P.2Na/c10-5-1-2-12(9(15)11-5)8-7(14)6(13)4(20-8)3-19-21(16,17)18;;/h1-2,4,6-8,13-14H,3H2,(H2,10,11,15)(H2,16,17,18);;/q;2*+1/p-2/t4-,6-,7-,8-;;/m1../s1
InChI Key:
INTPYBRGLGSMRA-WFIJOQBCSA-L
SMILES:
O[C@@H]1[C@H](O)[C@H](O[C@H]1n1ccc(nc1=O)N)COP(=O)([O-])[O-].[Na+].[Na+]
EC Number:
229-819-3
UNII:
383W8FIS5C
Properties
Complexity:
520
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
4
Defined Bond Stereocenter Count:
0
Exact Mass:
367.016g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
367.161g/mol
Monoisotopic Mass:
367.016g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
181A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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