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101039-82-1 | Uridine, 2'-deoxy-5-iodo-5'-O-(triphenylmethyl)-, 3'-methanesulfonate
CAS No: 101039-82-1 Catalog No: AG0003L1 MDL No:
Product Description
Catalog Number:
AG0003L1
Chemical Name:
Uridine, 2'-deoxy-5-iodo-5'-O-(triphenylmethyl)-, 3'-methanesulfonate
CAS Number:
101039-82-1
Molecular Formula:
C29H27IN2O7S
Molecular Weight:
674.5034
IUPAC Name:
[5-(5-iodo-2,4-dioxopyrimidin-1-yl)-2-(trityloxymethyl)oxolan-3-yl] methanesulfonate
InChI:
InChI=1S/C29H27IN2O7S/c1-40(35,36)39-24-17-26(32-18-23(30)27(33)31-28(32)34)38-25(24)19-37-29(20-11-5-2-6-12-20,21-13-7-3-8-14-21)22-15-9-4-10-16-22/h2-16,18,24-26H,17,19H2,1H3,(H,31,33,34)
InChI Key:
CRNKRAXUSXDNFJ-UHFFFAOYSA-N
SMILES:
O=c1[nH]c(=O)n(cc1I)[C@H]1C[C@@H]([C@H](O1)COC(c1ccccc1)(c1ccccc1)c1ccccc1)OS(=O)(=O)C
Properties
Complexity:
998
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
674.058g/mol
Formal Charge:
0
Heavy Atom Count:
40
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
674.506g/mol
Monoisotopic Mass:
674.058g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
120A^2
Undefined Atom Stereocenter Count:
3
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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