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130366-45-9 | Phosphonic acid, [(2,4-dioxo-1,3(2H,4H)-pyrimidinediyl)di-3,1-propanediyl]bis-, tetramethyl ester (9CI)
CAS No: 130366-45-9 Catalog No: AG000UBM MDL No:
Product Description
Catalog Number:
AG000UBM
Chemical Name:
Phosphonic acid, [(2,4-dioxo-1,3(2H,4H)-pyrimidinediyl)di-3,1-propanediyl]bis-, tetramethyl ester (9CI)
CAS Number:
130366-45-9
Molecular Formula:
C14H26N2O8P2
Molecular Weight:
412.3124
IUPAC Name:
1,3-bis(3-dimethoxyphosphorylpropyl)pyrimidine-2,4-dione
InChI:
InChI=1S/C14H26N2O8P2/c1-21-25(19,22-2)11-5-8-15-10-7-13(17)16(14(15)18)9-6-12-26(20,23-3)24-4/h7,10H,5-6,8-9,11-12H2,1-4H3
InChI Key:
QRDGEDZXKXJOHJ-UHFFFAOYSA-N
SMILES:
COP(=O)(CCCn1ccc(=O)n(c1=O)CCCP(=O)(OC)OC)OC
Properties
Complexity:
608
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
412.116g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
412.316g/mol
Monoisotopic Mass:
412.116g/mol
Rotatable Bond Count:
12
Topological Polar Surface Area:
112A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.4
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