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13009-95-5 | 5'-Cytidylic acid, 2'-deoxy-5-(hydroxymethyl)-
CAS No: 13009-95-5 Catalog No: AG000U01 MDL No:
Product Description
Catalog Number:
AG000U01
Chemical Name:
5'-Cytidylic acid, 2'-deoxy-5-(hydroxymethyl)-
CAS Number:
13009-95-5
Molecular Formula:
C10H16N3O8P
Molecular Weight:
337.2231
IUPAC Name:
[(2R,3S,5R)-5-[4-amino-5-(hydroxymethyl)-2-oxopyrimidin-1-yl]-3-hydroxyoxolan-2-yl]methyl dihydrogen phosphate
InChI:
InChI=1S/C10H16N3O8P/c11-9-5(3-14)2-13(10(16)12-9)8-1-6(15)7(21-8)4-20-22(17,18)19/h2,6-8,14-15H,1,3-4H2,(H2,11,12,16)(H2,17,18,19)/t6-,7+,8+/m0/s1
InChI Key:
BTIWPBKNTZFNRI-XLPZGREQSA-N
SMILES:
OCc1cn([C@H]2C[C@@H]([C@H](O2)COP(=O)(O)O)O)c(=O)nc1N
Properties
Complexity:
558
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
3
Defined Bond Stereocenter Count:
0
Exact Mass:
337.068g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
5
Isotope Atom Count:
0
Molecular Weight:
337.225g/mol
Monoisotopic Mass:
337.068g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
175A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-3.6
Literature
| Title | Journal |
|---|---|
| Chemical modification of bacteriophage T4 deoxynucleotide kinase. Evidence of a single catalytic region. | The Journal of biological chemistry 19930125 |
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