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119410-95-6 | Uridine, 2'-deoxy-2'-methylene-
CAS No: 119410-95-6 Catalog No: AG000IR0 MDL No:
Product Description
Catalog Number:
AG000IR0
Chemical Name:
Uridine, 2'-deoxy-2'-methylene-
CAS Number:
119410-95-6
Molecular Formula:
C10H12N2O5
Molecular Weight:
240.2127
IUPAC Name:
1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)-3-methylideneoxolan-2-yl]pyrimidine-2,4-dione
InChI:
InChI=1S/C10H12N2O5/c1-5-8(15)6(4-13)17-9(5)12-3-2-7(14)11-10(12)16/h2-3,6,8-9,13,15H,1,4H2,(H,11,14,16)/t6-,8+,9-/m1/s1
InChI Key:
AHOGIDIXKMOVSP-BWVDBABLSA-N
SMILES:
OC[C@H]1O[C@H](C(=C)[C@@H]1O)n1ccc(=O)[nH]c1=O
Properties
Complexity:
406
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
3
Defined Bond Stereocenter Count:
0
Exact Mass:
240.075g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
240.215g/mol
Monoisotopic Mass:
240.075g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
99.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.7
Literature
| Title | Journal |
|---|---|
| Synthesis and anticancer and antiviral activities of various 2'- and 3'-methylidene-substituted nucleoside analogues and crystal structure of 2'-deoxy-2'-methylidenecytidine hydrochloride. | Journal of medicinal chemistry 19910801 |
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