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7702-51-4 | 3-phosphonopropylphosphonic acid
CAS No: 7702-51-4 Catalog No: AG005EQ2 MDL No:
Product Description
Catalog Number:
AG005EQ2
Chemical Name:
3-phosphonopropylphosphonic acid
CAS Number:
7702-51-4
Molecular Formula:
C3H10O6P2
Molecular Weight:
204.0554
IUPAC Name:
3-phosphonopropylphosphonic acid
InChI:
InChI=1S/C3H10O6P2/c4-10(5,6)2-1-3-11(7,8)9/h1-3H2,(H2,4,5,6)(H2,7,8,9)
InChI Key:
PUVMVPFLXCHEOY-UHFFFAOYSA-N
SMILES:
OP(=O)(CCCP(=O)(O)O)O
Properties
Complexity:
178
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
203.995g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
204.055g/mol
Monoisotopic Mass:
203.995g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
115A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-3.1
Literature
| Title | Journal |
|---|---|
| Cooperative inhibition of human thymidylate synthase by mixtures of active site binding and allosteric inhibitors. | Biochemistry 20070313 |
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