MW: 142.11
CAS: 501-30-4
TNP NUMBER: TNP00261
MDL NUMBER: MFCD00006580
IUPAC: 5-hydroxy-2-(hydroxymethyl)pyran-4-one
Smiles: c1(c(cc(oc1)CO)=O)O
ACCEPTORS: 4
DONORS: 2
ROTATION BONDS: 3
N+O: 4
Chiral Centers: 0
LogP: -1.65
LogS: -1.88
LIPINSKI: 4
Monograph Number: 0005334
Title: Kojic Acid
CAS Registry Number: 501-30-4
CAS Name: 5-Hydroxy-2-(hydroxymethyl)-4H-pyran-4-one
Additional Names: 5-hydroxy-2-(hydroxymethyl)-4-pyrone; 2-hydroxymethyl-5-hydroxy-g-pyrone
Molecular Formula: C6H6O4
Molecular Weight: 142.11.
Percent Composition: C 50.71%, H 4.26%, O 45.03%
Literature References: Antibiotic substance produced in an aerobic process by a variety of microorganisms from a wide range of carbon sources. Isoln from Aspergillus oryzae: Saito, Bot. Mag. Tokyo 21, 249 (1907). Structure: Yabuta, J. Chem. Soc. 125, 575 (1924); Heyns, Vogelsang, Ber. 87, 13 (1954). Synthesis: Stacey, Turton, J. Chem. Soc. 1946, 661; Lichtenthaler, Heidel, Angew. Chem. Int. Ed. 8, 978 (1968). Industrial prepn: GB 826244 (1959 to Pfizer), C.A. 54, 11372e (1960). Mutagenicity study: C. I. Wei et al., Toxicol. Lett. 59, 213 (1991). Review: Be
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