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87727-68-2 | E-5-(2-Iodovinyl)-durd
CAS No: 87727-68-2 Catalog No: AG004JAE MDL No:
Product Description
Catalog Number:
AG004JAE
Chemical Name:
E-5-(2-Iodovinyl)-durd
CAS Number:
87727-68-2
Molecular Formula:
C11H13IN2O5
Molecular Weight:
380.1358
IUPAC Name:
1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-(2-iodoethenyl)pyrimidine-2,4-dione
InChI:
InChI=1S/C11H13IN2O5/c12-2-1-6-4-14(11(18)13-10(6)17)9-3-7(16)8(5-15)19-9/h1-2,4,7-9,15-16H,3,5H2,(H,13,17,18)/t7-,8+,9+/m0/s1
InChI Key:
LOLNFJHUEIDGNH-DJLDLDEBSA-N
SMILES:
IC=Cc1cn([C@H]2C[C@@H]([C@H](O2)CO)O)c(=O)[nH]c1=O
Properties
Complexity:
450
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
3
Defined Bond Stereocenter Count:
0
Exact Mass:
379.987g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
380.138g/mol
Monoisotopic Mass:
379.987g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
99.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
-0.2
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