200,000+ products from a single source!
sales@angenechem.com
99966-16-2 | (6R)-6-[2,6-DIOXO-5-(TRIFLUOROMETHYL)-1,2,3,6-TETRAHYDROPYRIMIDIN-4-YL]TETRAHYDRO-4H-FURO[3,2-D][1,3,2]DIOXAPHOSPHININ-2-OLATE 2-OXIDE
CAS No: 99966-16-2 Catalog No: AG003VIF MDL No:
Product Description
Catalog Number:
AG003VIF
Chemical Name:
(6R)-6-[2,6-DIOXO-5-(TRIFLUOROMETHYL)-1,2,3,6-TETRAHYDROPYRIMIDIN-4-YL]TETRAHYDRO-4H-FURO[3,2-D][1,3,2]DIOXAPHOSPHININ-2-OLATE 2-OXIDE
CAS Number:
99966-16-2
Molecular Formula:
C10H9F3N2O7P-
Molecular Weight:
357.1566
IUPAC Name:
6-[(4aR,6R,7aS)-2-hydroxy-2-oxo-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-6-yl]-5-(trifluoromethyl)-1H-pyrimidine-2,4-dione
InChI:
InChI=1S/C10H10F3N2O7P/c11-10(12,13)6-7(14-9(17)15-8(6)16)4-1-3-5(21-4)2-20-23(18,19)22-3/h3-5H,1-2H2,(H,18,19)(H2,14,15,16,17)/t3-,4+,5+/m0/s1
InChI Key:
XTMLOQHQVNFYRU-VPENINKCSA-N
SMILES:
O=c1[nH]c(=O)c(c([nH]1)[C@H]1CC2C(O1)COP(=O)(O2)[O-])C(F)(F)F
Properties
Complexity:
649
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
3
Defined Bond Stereocenter Count:
0
Exact Mass:
358.018g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
10
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
358.166g/mol
Monoisotopic Mass:
358.018g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
123A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.6
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 |
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.