OCHRATOXIN B

(2S)-2-[[(3R)-8-hydroxy-3-methyl-1-oxo-3,4-dihydroisochromene-7-carbonyl]amino]-3-phenylpropanoic acid

CAS: 4825-86-9

Molecular Formula	`C20H19NO6`
Molecular Weight	369.4 g/mol
LogP	4.1
Topological Polar Surface Area	113.0 A2
Hydrogen Bond Donors	3
Hydrogen Bond Acceptors	6
Rotatable Bonds	5
Exact Mass	369.12125
Heavy Atoms	27
Complexity	573.0

Chemical Identifiers

CAS Number	4825-86-9
SMILES	`CC1CC2=C(C(=C(C=C2)C(=O)NC(CC3=CC=CC=C3)C(=O)O)O)C(=O)O1`
InChIKey	`DAEYIVCTQUFNTM-ABAIWWIYSA-N`

📖 Product Overview

OCHRATOXIN B (CAS: 4825-86-9) is a chemical compound with molecular formula C20H19NO6 and molecular weight 369.4 g/mol. Its IUPAC systematic name is (2S)-2-[[(3R)-8-hydroxy-3-methyl-1-oxo-3,4-dihydroisochromene-7-carbonyl]amino]-3-phenylpropanoic acid. LogP 4.1 Topological Polar Surface Area 113.0 A2 Hydrogen Bond Donors 3 Hydrogen Bond Acceptors 6 Rotatable Bonds 5 Exact Mass 369.12125 Heavy Atoms 27 Complexity 573.0 InChI Key: DAEYIVCTQUFNTM-ABAIWWIYSA-N. SMILES: CC1CC2=C(C(=C(C=C2)C(=O)NC(CC3=CC=CC=C3)C(=O)O)O)C(=O)O1.

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