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104375-88-4 | 2'-Deoxy-5'-O-DMT-5-iodouridine
CAS No: 104375-88-4 Catalog No: AG00861D MDL No:
Product Description
Catalog Number:
AG00861D
Chemical Name:
2'-Deoxy-5'-O-DMT-5-iodouridine
CAS Number:
104375-88-4
Molecular Formula:
C30H29IN2O7
Molecular Weight:
656.4649
IUPAC Name:
1-[(2R,4S,5R)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-hydroxyoxolan-2-yl]-5-iodopyrimidine-2,4-dione
InChI:
InChI=1S/C30H29IN2O7/c1-37-22-12-8-20(9-13-22)30(19-6-4-3-5-7-19,21-10-14-23(38-2)15-11-21)39-18-26-25(34)16-27(40-26)33-17-24(31)28(35)32-29(33)36/h3-15,17,25-27,34H,16,18H2,1-2H3,(H,32,35,36)/t25-,26+,27+/m0/s1
InChI Key:
RLDUYGSOCGOJTP-OYUWMTPXSA-N
SMILES:
COc1ccc(cc1)C(c1ccc(cc1)OC)(c1ccccc1)OC[C@H]1O[C@H](C[C@@H]1O)n1cc(I)c(=O)[nH]c1=O
Properties
Complexity:
886
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
3
Defined Bond Stereocenter Count:
0
Exact Mass:
656.102g/mol
Formal Charge:
0
Heavy Atom Count:
40
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
656.473g/mol
Monoisotopic Mass:
656.102g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
107A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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