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1660-95-3 | Tetraisopropyl methylenebis(phosphonate);
CAS No: 1660-95-3 Catalog No: AG003UPF MDL No:MFCD00015021
Product Description
Catalog Number:
AG003UPF
Chemical Name:
Tetraisopropyl methylenebis(phosphonate);
CAS Number:
1660-95-3
Molecular Formula:
C13H30O6P2
Molecular Weight:
344.3212
MDL Number:
MFCD00015021
IUPAC Name:
2-[di(propan-2-yloxy)phosphorylmethyl-propan-2-yloxyphosphoryl]oxypropane
InChI:
InChI=1S/C13H30O6P2/c1-10(2)16-20(14,17-11(3)4)9-21(15,18-12(5)6)19-13(7)8/h10-13H,9H2,1-8H3
InChI Key:
ODTQUKVFOLFLIQ-UHFFFAOYSA-N
SMILES:
CC(OP(=O)(CP(=O)(OC(C)C)OC(C)C)OC(C)C)C
EC Number:
216-765-0
UNII:
K46Y5V9U61
NSC Number:
226577
Properties
Complexity:
328
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
344.152g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
344.325g/mol
Monoisotopic Mass:
344.152g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
71.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
Literature
| Title | Journal |
|---|---|
| Phosphorus stabilized carbene complexes: bisphosphonate dianion synthesis, reactivity and DFT studies of O~C~O zirconium(IV) complexes. | Dalton transactions (Cambridge, England : 2003) 20100114 |
| Some phosphonic acid analogs as inhibitors of pyrophosphate-dependent phosphofructokinase, a novel target in Toxoplasma gondii. | Biochemical pharmacology 19950106 |
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