Chemical Properties of Aflatoxin G1 (CAS 1165-39-5)

Aflatoxin G1

InChI
InChI=1S/C17H12O7/c1-20-9-6-10-12(8-3-5-22-17(8)23-10)14-11(9)7-2-4-21-15(18)13(7)16(19)24-14/h3,5-6,8,17H,2,4H2,1H3/t8-,17+/m0/s1
InChI Key
XWIYFDMXXLINPU-WNWIJWBNSA-N
Formula
C17H12O7
SMILES
COc1cc2c(c3oc(=O)c4c(c13)CCOC4=O)C1C=COC1O2
Molecular Weight1
328.27
CAS
1165-39-5
Other Names
  • 1H,12H-Furo[3',2':4,5]furo[2,3-h]pyrano[3,4-c][1]benzopyran-1,12-dione, 3,4,7a,10a-tetrahydro-5-methoxy-, (7aR-cis)-
  • (7aR,cis)3,4,7a,10a-tetrahydro-5-methoxy-1H,12H-furo[3',2':4,5]furo[2,3-h]pyrano[3,4-c]chromene-1,12-dione
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Physical Properties

Property Value Unit Source
ω 0.7750 Relay (1.0) Calculated Property
ΔfG° -511.60 kJ/mol Relay (1.0-beta) Calculated Property
ΔfH°gas -779.81 kJ/mol Relay (1.0) Calculated Property
ΔvapH° 114.02 kJ/mol Relay (1.0) Calculated Property
IE 8.31 eV Relay (1.0) Calculated Property
log10WS -4.55 Relay (1.0) Calculated Property
logPoct/wat 1.860 Crippen Calculated Property
McVol 207.080 ml/mol McGowan Calculated Property
Pc 1605.93 kPa Relay (1.0-beta) Calculated Property
Tboil 721.57 K Relay (1.0) Calculated Property
Tc 1051.09 K Relay (1.0) Calculated Property
Tfus 448.93 K Relay (1.0) Calculated Property
Vc 0.841 m3/kmol Relay (1.0) Calculated Property

Similar Compounds

Aflatoxin B1. Strychnine. 3-O,6-O,N-Triacetylnormorphine. Benzylmorphine. Nicocodine. Buprenorphine. Dihydroergokryptine. Crinan-11-ol, 1,2-didehydro-3-methoxy-, (3«beta»,5«alpha»,11R,13«beta»,19«alpha»)-. [2,2'-Bimorphinan]-3,3',6,6'-tetrol, 7,7',8,8'-tetradehydro-4,5:4',5'-diepoxy-17,17'-dimethyl-, (5«alpha»,6«alpha»)-(5'«alpha»,6'«alpha»)-. Morphinan-3,6-diol, 7,8-didehydro-4,5-epoxy-17-methyl- (5«alpha»,6«alpha»)-, bis(trifluoroacetate) (ester). Triazolo[4,5-d]pyrimidin-7-ol,3h-v-, 5-amino-3-(2',3'-o-isopropylidene-beta-d-ribofuranosyl)-, 5'-diphenyl phosphate (keto form). Deserpidine. Paclitaxel. Ergotaman-3',6',18-trione, 9,10-dihydro-12'-hydroxy-2'-methyl-5'-(phenylmethyl)-, (5'«alpha»,10«alpha»)-. Ergotamine.

Find more compounds similar to Aflatoxin G1.

Sources

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