200,000+ products from a single source!
sales@angenechem.com
Home > Other Building Blocks > 123372-15-6
123372-15-6 | Xanthosine, 5'-deoxy- (9CI)
CAS No: 123372-15-6 Catalog No: AG000KH9 MDL No:
Product Description
Catalog Number:
AG000KH9
Chemical Name:
Xanthosine, 5'-deoxy- (9CI)
CAS Number:
123372-15-6
Molecular Formula:
C10H12N4O5
Molecular Weight:
268.2261
IUPAC Name:
9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-methyloxolan-2-yl]-3H-purine-2,6-dione
InChI:
InChI=1S/C10H12N4O5/c1-3-5(15)6(16)9(19-3)14-2-11-4-7(14)12-10(18)13-8(4)17/h2-3,5-6,9,15-16H,1H3,(H2,12,13,17,18)/t3-,5-,6-,9-/m1/s1
InChI Key:
VKYHXDQOZGKJIN-UUOKFMHZSA-N
SMILES:
O=c1[nH]c(=O)c2c([nH]1)n(cn2)[C@@H]1O[C@@H]([C@H]([C@H]1O)O)C
Properties
Complexity:
419
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
4
Defined Bond Stereocenter Count:
0
Exact Mass:
268.081g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
268.229g/mol
Monoisotopic Mass:
268.081g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
126A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.9
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.