200,000+ products from a single source!
sales@angenechem.com
5987-76-8 | ACETIC ACID (2R,3R,4R,5R)-3,4-DIACETOXY-5-(6-CHLORO-2-IODO-PURIN-9-YL)-TETRAHYDRO-FURAN-2-YLMETHYL ESTER
CAS No: 5987-76-8 Catalog No: AG003NMI MDL No:MFCD03701153
Product Description
Catalog Number:
AG003NMI
Chemical Name:
ACETIC ACID (2R,3R,4R,5R)-3,4-DIACETOXY-5-(6-CHLORO-2-IODO-PURIN-9-YL)-TETRAHYDRO-FURAN-2-YLMETHYL ESTER
CAS Number:
5987-76-8
Molecular Formula:
C16H16ClIN4O7
Molecular Weight:
538.6783
MDL Number:
MFCD03701153
IUPAC Name:
[(2R,3R,4R,5R)-3,4-diacetyloxy-5-(6-chloro-2-iodopurin-9-yl)oxolan-2-yl]methyl acetate
InChI:
InChI=1S/C16H16ClIN4O7/c1-6(23)26-4-9-11(27-7(2)24)12(28-8(3)25)15(29-9)22-5-19-10-13(17)20-16(18)21-14(10)22/h5,9,11-12,15H,4H2,1-3H3/t9-,11-,12-,15-/m1/s1
InChI Key:
BYOJIJDSBSWKKE-SDBHATRESA-N
SMILES:
CC(=O)O[C@@H]1[C@H](OC(=O)C)[C@H](O[C@H]1n1cnc2c1nc(I)nc2Cl)COC(=O)C
Properties
Complexity:
659
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
4
Defined Bond Stereocenter Count:
0
Exact Mass:
537.975g/mol
Formal Charge:
0
Heavy Atom Count:
29
Hydrogen Bond Acceptor Count:
10
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
538.679g/mol
Monoisotopic Mass:
537.975g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
132A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
Literature
| Title | Journal |
|---|---|
| Synthesis and biological activities of 2-functionalized purine nucleosides. | Nucleosides, nucleotides & nucleic acids 20030201 |
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.