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124288-72-8 | Uridine, 2',3'-dideoxy-3'-isocyano- (9CI)
CAS No: 124288-72-8 Catalog No: AG000LT2 MDL No:
Product Description
Catalog Number:
AG000LT2
Chemical Name:
Uridine, 2',3'-dideoxy-3'-isocyano- (9CI)
CAS Number:
124288-72-8
Molecular Formula:
C10H11N3O4
Molecular Weight:
237.2120
IUPAC Name:
1-[(2R,4S,5S)-5-(hydroxymethyl)-4-isocyanooxolan-2-yl]pyrimidine-2,4-dione
InChI:
InChI=1S/C10H11N3O4/c1-11-6-4-9(17-7(6)5-14)13-3-2-8(15)12-10(13)16/h2-3,6-7,9,14H,4-5H2,(H,12,15,16)/t6-,7+,9+/m0/s1
InChI Key:
KEPYLRFTUFPYBU-LKEWCRSYSA-N
SMILES:
[C-]#[N+][C@H]1C[C@@H](O[C@@H]1CO)n1ccc(=O)[nH]c1=O
Properties
Complexity:
425
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
3
Defined Bond Stereocenter Count:
0
Exact Mass:
237.075g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
237.215g/mol
Monoisotopic Mass:
237.075g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
83.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.5
Literature
| Title | Journal |
|---|---|
| Synthesis, antiretrovirus effects, and phosphorylation kinetics of 3'-isocyano-3'-deoxythymidine and 3'-isocyano-2',3'-dideoxyuridine. | Journal of medicinal chemistry 19900201 |
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