200,000+ products from a single source!
sales@angenechem.com
Home > Other Building Blocks > 2642-43-5
2642-43-5 | 3'-Thymidylic acid
CAS No: 2642-43-5 Catalog No: AG002T52 MDL No:
Product Description
Catalog Number:
AG002T52
Chemical Name:
3'-Thymidylic acid
CAS Number:
2642-43-5
Molecular Formula:
C10H15N2O8P
Molecular Weight:
322.2085
IUPAC Name:
azane;[(2R,3S,5R)-2-(hydroxymethyl)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl] dihydrogen phosphate;hydrate
InChI:
InChI=1S/C10H15N2O8P.H3N.H2O/c1-5-3-12(10(15)11-9(5)14)8-2-6(7(4-13)19-8)20-21(16,17)18;;/h3,6-8,13H,2,4H2,1H3,(H,11,14,15)(H2,16,17,18);1H3;1H2/t6-,7+,8+;;/m0../s1
InChI Key:
AWIYUQSEPILHQT-ZJWYQBPBSA-N
SMILES:
OC[C@H]1O[C@H](C[C@@H]1OP(=O)(O)O)n1cc(C)c(=O)[nH]c1=O
Properties
Complexity:
529
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
3
Defined Bond Stereocenter Count:
0
Exact Mass:
357.094g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
10
Hydrogen Bond Donor Count:
6
Isotope Atom Count:
0
Molecular Weight:
357.256g/mol
Monoisotopic Mass:
357.094g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
148A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.