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102691-34-9 | Uridine, 5-(2-cyanoethenyl)-2'-deoxy-
CAS No: 102691-34-9 Catalog No: AG00084M MDL No:
Product Description
Catalog Number:
AG00084M
Chemical Name:
Uridine, 5-(2-cyanoethenyl)-2'-deoxy-
CAS Number:
102691-34-9
Molecular Formula:
C12H13N3O5
Molecular Weight:
279.2487
IUPAC Name:
3-[1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2,4-dioxopyrimidin-5-yl]prop-2-enenitrile
InChI:
InChI=1S/C12H13N3O5/c13-3-1-2-7-5-15(12(19)14-11(7)18)10-4-8(17)9(6-16)20-10/h1-2,5,8-10,16-17H,4,6H2,(H,14,18,19)/t8-,9+,10+/m0/s1
InChI Key:
USIRYNCTCFVRQR-IVZWLZJFSA-N
SMILES:
OC[C@H]1O[C@H](C[C@@H]1O)n1cc(C=CC#N)c(=O)[nH]c1=O
Properties
Complexity:
533
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
3
Defined Bond Stereocenter Count:
0
Exact Mass:
279.086g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
279.252g/mol
Monoisotopic Mass:
279.086g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
123A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
-1.4
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