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145943-92-6 | Butanedioic acid, 2,3-bis[[(phenylamino)carbonyl]oxy]-, [R-(R*,R*)]- (9CI)
CAS No: 145943-92-6 Catalog No: AG001DJ0 MDL No:
Product Description
Catalog Number:
AG001DJ0
Chemical Name:
Butanedioic acid, 2,3-bis[[(phenylamino)carbonyl]oxy]-, [R-(R*,R*)]- (9CI)
CAS Number:
145943-92-6
Molecular Formula:
C18H16N2O8
Molecular Weight:
388.3282
IUPAC Name:
(2R,3R)-2,3-bis(phenylcarbamoyloxy)butanedioic acid
InChI:
InChI=1S/C18H16N2O8/c21-15(22)13(27-17(25)19-11-7-3-1-4-8-11)14(16(23)24)28-18(26)20-12-9-5-2-6-10-12/h1-10,13-14H,(H,19,25)(H,20,26)(H,21,22)(H,23,24)/t13-,14-/m1/s1
InChI Key:
KUQXJZZQKFACGT-ZIAGYGMSSA-N
SMILES:
OC(=O)[C@@H]([C@H](C(=O)O)OC(=O)Nc1ccccc1)OC(=O)Nc1ccccc1
Properties
Complexity:
520
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
388.091g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
388.332g/mol
Monoisotopic Mass:
388.091g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
151A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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