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80646-46-4 | Uridine, 5'-bromo-5-[(1E)-2-bromoethenyl]-2',5'-dideoxy-
CAS No: 80646-46-4 Catalog No: AG005KE2 MDL No:
Product Description
Catalog Number:
AG005KE2
Chemical Name:
Uridine, 5'-bromo-5-[(1E)-2-bromoethenyl]-2',5'-dideoxy-
CAS Number:
80646-46-4
Molecular Formula:
C11H12Br2N2O4
Molecular Weight:
396.0320
IUPAC Name:
5-(2-bromoethenyl)-1-[(2R,4S,5S)-5-(bromomethyl)-4-hydroxyoxolan-2-yl]pyrimidine-2,4-dione
InChI:
InChI=1S/C11H12Br2N2O4/c12-2-1-6-5-15(11(18)14-10(6)17)9-3-7(16)8(4-13)19-9/h1-2,5,7-9,16H,3-4H2,(H,14,17,18)/t7-,8+,9+/m0/s1
InChI Key:
ZWHAVYWEYBJCPA-DJLDLDEBSA-N
SMILES:
Br/C=C/c1cn([C@H]2C[C@@H]([C@H](O2)CBr)O)c(=O)[nH]c1=O
Properties
Complexity:
452
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
3
Defined Bond Stereocenter Count:
0
Exact Mass:
395.914g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
396.035g/mol
Monoisotopic Mass:
393.916g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
78.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
0.5
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