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130366-46-0 | Phosphonic acid, [(6-methyl-2,4-dioxo-1,3(2H,4H)-pyrimidinediyl)bis(3,1-propanediyl)]bis-, tetramethyl ester (9CI)
CAS No: 130366-46-0 Catalog No: AG000UBL MDL No:
Product Description
Catalog Number:
AG000UBL
Chemical Name:
Phosphonic acid, [(6-methyl-2,4-dioxo-1,3(2H,4H)-pyrimidinediyl)bis(3,1-propanediyl)]bis-, tetramethyl ester (9CI)
CAS Number:
130366-46-0
Molecular Formula:
C15H28N2O8P2
Molecular Weight:
426.3389
IUPAC Name:
1,3-bis(3-dimethoxyphosphorylpropyl)-6-methylpyrimidine-2,4-dione
InChI:
InChI=1S/C15H28N2O8P2/c1-13-12-14(18)17(9-7-11-27(21,24-4)25-5)15(19)16(13)8-6-10-26(20,22-2)23-3/h12H,6-11H2,1-5H3
InChI Key:
PACHKEDACMOCOI-UHFFFAOYSA-N
SMILES:
COP(=O)(CCCn1c(C)cc(=O)n(c1=O)CCCP(=O)(OC)OC)OC
Properties
Complexity:
650
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
426.132g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
426.343g/mol
Monoisotopic Mass:
426.132g/mol
Rotatable Bond Count:
12
Topological Polar Surface Area:
112A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1
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