Home Carboxys (e)-5-(2-carboxyvinyl)-2-deoxyuridine

(e)-5-(2-carboxyvinyl)-2-deoxyuridine

CAS No.:
74131-06-9
Catalog Number:
AG005DW8
Molecular Formula:
C12H14N2O7
Molecular Weight:
298.2488
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Product Description
Catalog Number:
AG005DW8
Chemical Name:
(e)-5-(2-carboxyvinyl)-2-deoxyuridine
CAS Number:
74131-06-9
Molecular Formula:
C12H14N2O7
Molecular Weight:
298.2488
MDL Number:
MFCD01631045
IUPAC Name:
(E)-3-[1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2,4-dioxopyrimidin-5-yl]prop-2-enoic acid
InChI:
InChI=1S/C12H14N2O7/c15-5-8-7(16)3-9(21-8)14-4-6(1-2-10(17)18)11(19)13-12(14)20/h1-2,4,7-9,15-16H,3,5H2,(H,17,18)(H,13,19,20)/b2-1+/t7-,8+,9+/m0/s1
InChI Key:
YWQZUENVQOQEHJ-PIXDULNESA-N
SMILES:
OC[C@H]1O[C@H](C[C@@H]1O)n1cc(/C=C/C(=O)O)c(=O)[nH]c1=O
Properties
Complexity:
528  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
3  
Defined Bond Stereocenter Count:
1  
Exact Mass:
298.08g/mol
Formal Charge:
0
Heavy Atom Count:
21  
Hydrogen Bond Acceptor Count:
7  
Hydrogen Bond Donor Count:
4  
Isotope Atom Count:
0
Molecular Weight:
298.251g/mol
Monoisotopic Mass:
298.08g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
136A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.6  
Properties