Chemical Properties of Citrinin (CAS 518-75-2)

Citrinin

InChI
InChI=1S/C12H12O5/c1-5-6(2)17-4-8-7(5)3-9(13)10(11(8)14)12(15)16/h3-6,14H,1-2H3,(H,15,16)/t5-,6-/m0/s1
InChI Key
UKOIKDGZQBFMQS-WDSKDSINSA-N
Formula
C13H14O5
SMILES
CC1OC=C2C(=CC(=O)C(C(=O)O)=C2O)C1C
Molecular Weight1
250.25
CAS
518-75-2
Other Names
  • 3H-2-Benzopyran-7-carboxylic acid, 4,6-dihydro-8-hydroxy-3,4,5-trimethyl-6-oxo-, (3R-trans)-
  • 4,6-Dihydro-8-hydroxy-3,4,5-trimethyl-6-oxo-3H-2-benzopyran-7-carboxylic acid
  • Antimycin
  • Citriain
  • 3H-2-Benzopyran-7-carboxylic acid, 4,6-dihydro-8-hydroxy-3,4,5-trimethyl-6-oxo-
  • (3R,4S)-4,6-Dihydro-8-hydroxy-3,4,5-trimethyl-6-oxo-3H-2-benzopyran-7-carboxylic acid
  • 3,4-dihydro-8-hydroxy-3,4,5-trimethyl-6H-6-oxobenzo(c)pyran-7-carboxylic acid
  • p-Quinomethide tautomer
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Physical Properties

Property Value Unit Source
ΔfusH° 34.08 kJ/mol Joback Calculated Property
logPoct/wat 1.331 Crippen Calculated Property
McVol 166.070 ml/mol McGowan Calculated Property

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Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [510.41; 555.17] J/mol×K [854.92; 1069.44] Show Hide
Cp,gas 510.41 J/mol×K 854.92 Joback Calculated Property
Cp,gas 519.96 J/mol×K 890.67 Joback Calculated Property
Cp,gas 528.67 J/mol×K 926.43 Joback Calculated Property
Cp,gas 536.54 J/mol×K 962.18 Joback Calculated Property
Cp,gas 543.58 J/mol×K 997.93 Joback Calculated Property
Cp,gas 549.79 J/mol×K 1033.69 Joback Calculated Property
Cp,gas 555.17 J/mol×K 1069.44 Joback Calculated Property

Similar Compounds

3H-2-Benzopyran-7-carboxylic acid, 4,6-dihydro-8-hydroxy-3,4,5-trimethyl-6-oxo-, (3S-trans)-. Uridine, 2',3'-bis-O-acetyl, 5'-O-TBDMS. Uridine, 2'-O-TBDMS, 3',5'-bis-O-acetyl. (1'S,3R,4a'S,5a'S,10a'S)-Methyl 1'-methyl-2-oxo-1',4a',5',5a',7',8',10',10a'-octahydrospiro[indoline-3,6'-pyrano[3,4-f]indolizine]-4'-carboxylate. 1H-pyrazolo[3,4-d]pyrimidine, 4-(methylthio)-1-beta-d-ribofuranosyl-, 2',3',5'-tribenzoate. risperidone. Formosanan-16-carboxylic acid, 19-methyl-2-oxo-, methyl ester, (19«alpha»)-. Uridine, 2'-O-acetyl, 3',5'-bis-O-TBDMS. Uridine, 2'-O-TBDMS, 3'-O-acetyl, 5'-O-TBDMS. Normorphine, N-trimethylsilyl-, bis(trimethylsilyl) ether. HEPTAFLUOROBUTYRYL-CODEINE. Hydromorphone, trimethylsilyl ether. PACLITAXEL. Methyldesorphine. ERGOTAMINE.

Find more compounds similar to Citrinin.

Sources

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