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142276-30-0 | Isohypophosphoric acid, P'-[[(1S)-2-(4-amino-2-oxo-1(2H)-pyrimidinyl)-1-(hydroxymethyl)ethoxy]methyl]-
CAS No: 142276-30-0 Catalog No: AG001I3K MDL No:
Product Description
Catalog Number:
AG001I3K
Chemical Name:
Isohypophosphoric acid, P'-[[(1S)-2-(4-amino-2-oxo-1(2H)-pyrimidinyl)-1-(hydroxymethyl)ethoxy]methyl]-
CAS Number:
142276-30-0
Molecular Formula:
C8H15N3O9P2
Molecular Weight:
359.1669
IUPAC Name:
[(2S)-1-(4-amino-2-oxopyrimidin-1-yl)-3-hydroxypropan-2-yl]oxymethyl-phosphonooxyphosphinic acid
InChI:
InChI=1S/C8H15N3O9P2/c9-7-1-2-11(8(13)10-7)3-6(4-12)19-5-21(14,15)20-22(16,17)18/h1-2,6,12H,3-5H2,(H,14,15)(H2,9,10,13)(H2,16,17,18)/t6-/m0/s1
InChI Key:
SZWFTLGNTAKMDI-LURJTMIESA-N
SMILES:
OC[C@H](Cn1ccc(nc1=O)N)OCP(=O)(OP(=O)(O)O)O
Properties
Complexity:
571
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
359.028g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
9
Hydrogen Bond Donor Count:
5
Isotope Atom Count:
0
Molecular Weight:
359.168g/mol
Monoisotopic Mass:
359.028g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
192A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-4.7
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