200,000+ products from a single source!
sales@angenechem.com
147126-75-8 | 1,3-Oxathiolane-2-carboxylic acid, 5-(4-amino-5-fluoro-2-oxo-1(2H)-pyrimidinyl)-, (1R,2S,5R)-5-methyl-2-(1-methylethyl)cyclohexyl ester, (2S,5R)-
CAS No: 147126-75-8 Catalog No: AG001EMK MDL No:MFCD09743550
Product Description
Catalog Number:
AG001EMK
Chemical Name:
1,3-Oxathiolane-2-carboxylic acid, 5-(4-amino-5-fluoro-2-oxo-1(2H)-pyrimidinyl)-, (1R,2S,5R)-5-methyl-2-(1-methylethyl)cyclohexyl ester, (2S,5R)-
CAS Number:
147126-75-8
Molecular Formula:
C18H26FN3O4S
Molecular Weight:
399.4801
MDL Number:
MFCD09743550
IUPAC Name:
(5-methyl-2-propan-2-ylcyclohexyl) 5-(4-amino-5-fluoro-2-oxopyrimidin-1-yl)-1,3-oxathiolane-2-carboxylate
InChI:
InChI=1S/C18H26FN3O4S/c1-9(2)11-5-4-10(3)6-13(11)25-16(23)17-26-14(8-27-17)22-7-12(19)15(20)21-18(22)24/h7,9-11,13-14,17H,4-6,8H2,1-3H3,(H2,20,21,24)
InChI Key:
AUTCQXVTOIJYOT-UHFFFAOYSA-N
SMILES:
C[C@@H]1CC[C@H]([C@@H](C1)OC(=O)[C@@H]1SC[C@@H](O1)n1cc(F)c(nc1=O)N)C(C)C
Properties
Complexity:
669
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
399.163g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
399.481g/mol
Monoisotopic Mass:
399.163g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
120A^2
Undefined Atom Stereocenter Count:
5
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.