Compound C22H27NO8

1-(4-hydroxy-3-methoxyphenyl)-1,2,3,4-tetrahydroisoquinolin-2-ium-4,6-diol;6-hydroxy-6-oxohexanoate

CAS: 79677-09-1

Molecular Formula	`C22H27NO8`
Molecular Weight	433.5 g/mol
Topological Polar Surface Area	164.0 A2
Hydrogen Bond Donors	5
Hydrogen Bond Acceptors	8
Rotatable Bonds	6
Exact Mass	433.17368
Heavy Atoms	31
Complexity	477.0

Chemical Identifiers

CAS Number	79677-09-1
SMILES	`COC1=C(C=CC(=C1)C2C3=C(C=C(C=C3)O)C(C[NH2+]2)O)O.C(CCC(=O)[O-])CC(=O)O`
InChIKey	`QQEDQRQKXRZEAN-UHFFFAOYSA-N`

📖 Product Overview

Compound C22H27NO8 (CAS: 79677-09-1) is a chemical compound with molecular formula C22H27NO8 and molecular weight 433.5 g/mol. Its IUPAC systematic name is 1-(4-hydroxy-3-methoxyphenyl)-1,2,3,4-tetrahydroisoquinolin-2-ium-4,6-diol;6-hydroxy-6-oxohexanoate. Topological Polar Surface Area 164.0 A2 Hydrogen Bond Donors 5 Hydrogen Bond Acceptors 8 Rotatable Bonds 6 Exact Mass 433.17368 Heavy Atoms 31 Complexity 477.0 InChI Key: QQEDQRQKXRZEAN-UHFFFAOYSA-N. SMILES: COC1=C(C=CC(=C1)C2C3=C(C=C(C=C3)O)C(C[NH2+]2)O)O.C(CCC(=O)[O-])CC(=O)O.

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