200,000+ products from a single source!
sales@angenechem.com
Home > Other Building Blocks > 100244-20-0
100244-20-0 | 2-Propenoic acid, 3-[2-(2-deoxy-β-D-erythro-pentofuranosyl)-2,3,4,5-tetrahydro-3,5-dioxo-1,2,4-triazin-6-yl]-, methyl ester, (2E)-
CAS No: 100244-20-0 Catalog No: AG0001CR MDL No:
Product Description
Catalog Number:
AG0001CR
Chemical Name:
2-Propenoic acid, 3-[2-(2-deoxy-β-D-erythro-pentofuranosyl)-2,3,4,5-tetrahydro-3,5-dioxo-1,2,4-triazin-6-yl]-, methyl ester, (2E)-
CAS Number:
100244-20-0
Molecular Formula:
C12H15N3O7
Molecular Weight:
313.2634
IUPAC Name:
methyl (E)-3-[2-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-3,5-dioxo-1,2,4-triazin-6-yl]prop-2-enoate
InChI:
InChI=1S/C12H15N3O7/c1-21-10(18)3-2-6-11(19)13-12(20)15(14-6)9-4-7(17)8(5-16)22-9/h2-3,7-9,16-17H,4-5H2,1H3,(H,13,19,20)/b3-2+/t7-,8+,9+/m0/s1
InChI Key:
YJLYYJQICHEART-NSVNRLROSA-N
SMILES:
COC(=O)/C=C/c1nn([C@@H]2O[C@@H]([C@H](C2)O)CO)c(=O)[nH]c1=O
Properties
Complexity:
545
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
3
Defined Bond Stereocenter Count:
1
Exact Mass:
313.091g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
313.266g/mol
Monoisotopic Mass:
313.091g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
138A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.2
Literature
| Title | Journal |
|---|---|
| Synthesis and antiviral properties of 5-(2-substituted vinyl)-6-aza-2'-deoxyuridines. | Journal of medicinal chemistry 19860501 |
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.