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87227-00-7 | L-Proline, 5-oxo-1-[(2,3,6,7-tetramethoxy-9-phenanthrenyl)methyl]-
CAS No: 87227-00-7 Catalog No: AG004RPI MDL No:
Product Description
Catalog Number:
AG004RPI
Chemical Name:
L-Proline, 5-oxo-1-[(2,3,6,7-tetramethoxy-9-phenanthrenyl)methyl]-
CAS Number:
87227-00-7
Molecular Formula:
C24H25NO7
Molecular Weight:
439.4578
IUPAC Name:
(2S)-5-oxo-1-[(2,3,6,7-tetramethoxyphenanthren-9-yl)methyl]pyrrolidine-2-carboxylic acid
InChI:
InChI=1S/C24H25NO7/c1-29-19-8-13-7-14(12-25-18(24(27)28)5-6-23(25)26)16-10-21(31-3)22(32-4)11-17(16)15(13)9-20(19)30-2/h7-11,18H,5-6,12H2,1-4H3,(H,27,28)/t18-/m0/s1
InChI Key:
WHMYPWSOKGMCLN-SFHVURJKSA-N
SMILES:
COc1cc2c(cc1OC)c(CN1C(=O)CC[C@H]1C(=O)O)cc1c2cc(OC)c(c1)OC
Properties
Complexity:
687
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
439.163g/mol
Formal Charge:
0
Heavy Atom Count:
32
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
439.464g/mol
Monoisotopic Mass:
439.163g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
94.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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