200,000+ products from a single source!
sales@angenechem.com
1004315-81-4 | Butanedioic acid, 2,3-bis(benzoyloxy)-, (2R,3R)-(2S)-compd. with 3-(dimethylamino)-2-methyl-1-[3-(phenylmethoxy)phenyl]-1-propanone (1:1)
CAS No: 1004315-81-4 Catalog No: AG0001ZC MDL No:
Product Description
Catalog Number:
AG0001ZC
Chemical Name:
Butanedioic acid, 2,3-bis(benzoyloxy)-, (2R,3R)-(2S)-compd. with 3-(dimethylamino)-2-methyl-1-[3-(phenylmethoxy)phenyl]-1-propanone (1:1)
CAS Number:
1004315-81-4
Molecular Formula:
C37H37NO10
Molecular Weight:
655.6904
IUPAC Name:
(2R,3R)-2,3-dibenzoyloxybutanedioic acid;(2S)-3-(dimethylamino)-2-methyl-1-(3-phenylmethoxyphenyl)propan-1-one
InChI:
InChI=1S/C19H23NO2.C18H14O8/c1-15(13-20(2)3)19(21)17-10-7-11-18(12-17)22-14-16-8-5-4-6-9-16;19-15(20)13(25-17(23)11-7-3-1-4-8-11)14(16(21)22)26-18(24)12-9-5-2-6-10-12/h4-12,15H,13-14H2,1-3H3;1-10,13-14H,(H,19,20)(H,21,22)/t15-;13-,14-/m01/s1
InChI Key:
RYQOZGACLFHXMI-ODKFSYLCSA-N
SMILES:
OC(=O)[C@@H]([C@H](C(=O)O)OC(=O)c1ccccc1)OC(=O)c1ccccc1.CN(C[C@@H](C(=O)c1cccc(c1)OCc1ccccc1)C)C
Properties
Complexity:
820
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
3
Defined Bond Stereocenter Count:
0
Exact Mass:
655.242g/mol
Formal Charge:
0
Heavy Atom Count:
48
Hydrogen Bond Acceptor Count:
11
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
655.7g/mol
Monoisotopic Mass:
655.242g/mol
Rotatable Bond Count:
16
Topological Polar Surface Area:
157A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.