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869884-00-4 | (S)-1,2,3,4-Tetrahydro-1-phenylisoquinoline D-(-)-tartrate
CAS No: 869884-00-4 Catalog No: AG004NX0 MDL No:
Product Description
Catalog Number:
AG004NX0
Chemical Name:
(S)-1,2,3,4-Tetrahydro-1-phenylisoquinoline D-(-)-tartrate
CAS Number:
869884-00-4
Molecular Formula:
C19H21NO6
Molecular Weight:
359.3731
IUPAC Name:
(2S,3S)-2,3-dihydroxybutanedioic acid;(1S)-1-phenyl-1,2,3,4-tetrahydroisoquinoline
InChI:
InChI=1S/C15H15N.C4H6O6/c1-2-7-13(8-3-1)15-14-9-5-4-6-12(14)10-11-16-15;5-1(3(7)8)2(6)4(9)10/h1-9,15-16H,10-11H2;1-2,5-6H,(H,7,8)(H,9,10)/t15-;1-,2-/m00/s1
InChI Key:
SZEOPQAHUUEDMC-XQIJAYBJSA-N
SMILES:
c1ccc(cc1)[C@@H]1NCCc2c1cccc2.OC(=O)[C@H]([C@@H](C(=O)O)O)O
Properties
Complexity:
353
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
3
Defined Bond Stereocenter Count:
0
Exact Mass:
359.137g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
5
Isotope Atom Count:
0
Molecular Weight:
359.378g/mol
Monoisotopic Mass:
359.137g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
127A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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