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86708-78-3 | [(3R,4R,5R)-3,4-dihydroxy-5-methyl-oxolan-2-yl]oxyphosphonic acid
CAS No: 86708-78-3 Catalog No: AG004KJD MDL No:
Product Description
Catalog Number:
AG004KJD
Chemical Name:
[(3R,4R,5R)-3,4-dihydroxy-5-methyl-oxolan-2-yl]oxyphosphonic acid
CAS Number:
86708-78-3
Molecular Formula:
C5H11O7P
Molecular Weight:
214.1104
IUPAC Name:
[(3R,4S,5R)-3,4-dihydroxy-5-methyloxolan-2-yl] dihydrogen phosphate
InChI:
InChI=1S/C5H11O7P/c1-2-3(6)4(7)5(11-2)12-13(8,9)10/h2-7H,1H3,(H2,8,9,10)/t2-,3-,4-,5?/m1/s1
InChI Key:
XXQFKXPJJNBLSU-SOOFDHNKSA-N
SMILES:
C[C@H]1OC([C@@H]([C@H]1O)O)OP(=O)(O)O
Properties
Complexity:
225
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
3
Defined Bond Stereocenter Count:
0
Exact Mass:
214.024g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
214.11g/mol
Monoisotopic Mass:
214.024g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
116A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
-2.6
Literature
| Title | Journal |
|---|---|
| 5'-Deoxyribose phosphate lyase activity of human DNA polymerase iota in vitro. | Science (New York, N.Y.) 20010316 |
| Mammalian DNA beta-polymerase in base excision repair of alkylation damage. | Progress in nucleic acid research and molecular biology 20010101 |
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