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144872-54-8 | Uridine, 2'-deoxy-5-iodo-, 3'-benzoate
CAS No: 144872-54-8 Catalog No: AG001K92 MDL No:
Product Description
Catalog Number:
AG001K92
Chemical Name:
Uridine, 2'-deoxy-5-iodo-, 3'-benzoate
CAS Number:
144872-54-8
Molecular Formula:
C16H15IN2O6
Molecular Weight:
458.2046
IUPAC Name:
[(2R,3S,5R)-2-(hydroxymethyl)-5-(5-iodo-2,4-dioxopyrimidin-1-yl)oxolan-3-yl] benzoate
InChI:
InChI=1S/C16H15IN2O6/c17-10-7-19(16(23)18-14(10)21)13-6-11(12(8-20)24-13)25-15(22)9-4-2-1-3-5-9/h1-5,7,11-13,20H,6,8H2,(H,18,21,23)/t11-,12+,13+/m0/s1
InChI Key:
CMCQFFGNHLCYBZ-YNEHKIRRSA-N
SMILES:
OC[C@H]1O[C@H](C[C@@H]1OC(=O)c1ccccc1)n1cc(I)c(=O)[nH]c1=O
Properties
Complexity:
589
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
3
Defined Bond Stereocenter Count:
0
Exact Mass:
457.997g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
458.208g/mol
Monoisotopic Mass:
457.997g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
105A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
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