200,000+ products from a single source!
sales@angenechem.com
Home > Imidazoles > 117707-51-4
117707-51-4 | (3S,4R)-3-ethyl-4-[(3-methylimidazol-4-yl)methyl]thiolan-2-one; phosphoric acid
CAS No: 117707-51-4 Catalog No: AG007QTT MDL No:
Product Description
Catalog Number:
AG007QTT
Chemical Name:
(3S,4R)-3-ethyl-4-[(3-methylimidazol-4-yl)methyl]thiolan-2-one; phosphoric acid
CAS Number:
117707-51-4
Molecular Formula:
C11H19N2O5PS
Molecular Weight:
322.3177
IUPAC Name:
(3S,4R)-3-ethyl-4-[(3-methylimidazol-4-yl)methyl]thiolan-2-one;phosphoric acid
InChI:
InChI=1S/C11H16N2OS.H3O4P/c1-3-10-8(6-15-11(10)14)4-9-5-12-7-13(9)2;1-5(2,3)4/h5,7-8,10H,3-4,6H2,1-2H3;(H3,1,2,3,4)/t8-,10-;/m0./s1
InChI Key:
PSRPKRDUWXFVQS-GNAZCLTHSA-N
SMILES:
OP(=O)(O)O.CC[C@@H]1C(=O)SC[C@@H]1Cc1cncn1C
UNII:
HZ0DY0JLD8
Properties
Complexity:
297
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
322.075g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
322.316g/mol
Monoisotopic Mass:
322.075g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
138A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.