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100100-62-7 | Uridine, 2'-deoxy-5-iodo-, cyclic 3',5'-(phenylmethyl phosphate) (9CI)
CAS No: 100100-62-7 Catalog No: AG0000XL MDL No:
Product Description
Catalog Number:
AG0000XL
Chemical Name:
Uridine, 2'-deoxy-5-iodo-, cyclic 3',5'-(phenylmethyl phosphate) (9CI)
CAS Number:
100100-62-7
IUPAC Name:
1-[(4aR,6R,7aS)-2-oxo-2-phenylmethoxy-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-6-yl]-5-iodopyrimidine-2,4-dione
InChI:
InChI=1S/C16H16IN2O7P/c17-11-7-19(16(21)18-15(11)20)14-6-12-13(25-14)9-24-27(22,26-12)23-8-10-4-2-1-3-5-10/h1-5,7,12-14H,6,8-9H2,(H,18,20,21)/t12-,13+,14+,27?/m0/s1
InChI Key:
NGBTVJVZNZFPLC-KCSNQXNZSA-N
Properties
Complexity:
696
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
3
Defined Bond Stereocenter Count:
0
Exact Mass:
505.974g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
506.189g/mol
Monoisotopic Mass:
505.974g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
103A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
Literature
| Title | Journal |
|---|---|
| Synthesis and antitumor and antiviral properties of 5-halo- and 5-(trifluoromethyl)-2'-deoxyuridine 3',5'-cyclic monophosphates and neutral triesters. | Journal of medicinal chemistry 19860701 |
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