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100100-61-6 | Uridine, 2'-deoxy-5-iodo-, cyclic 3',5'-(methyl phosphate) (9CI)
CAS No: 100100-61-6 Catalog No: AG0000XM MDL No:
Product Description
Catalog Number:
AG0000XM
Chemical Name:
Uridine, 2'-deoxy-5-iodo-, cyclic 3',5'-(methyl phosphate) (9CI)
CAS Number:
100100-61-6
Molecular Formula:
C10H12IN2O7P
Molecular Weight:
430.0897
IUPAC Name:
1-[(4aR,6R,7aS)-2-methoxy-2-oxo-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-6-yl]-5-iodopyrimidine-2,4-dione
InChI:
InChI=1S/C10H12IN2O7P/c1-17-21(16)18-4-7-6(20-21)2-8(19-7)13-3-5(11)9(14)12-10(13)15/h3,6-8H,2,4H2,1H3,(H,12,14,15)/t6-,7+,8+,21?/m0/s1
InChI Key:
XMHMOPBDNAQNDJ-RHODASDESA-N
SMILES:
COP1(=O)OCC2C(O1)C[C@@H](O2)n1cc(I)c(=O)[nH]c1=O
Properties
Complexity:
568
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
3
Defined Bond Stereocenter Count:
0
Exact Mass:
429.943g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
430.091g/mol
Monoisotopic Mass:
429.943g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
103A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.8
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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