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Aflatoxin B2

CAT: 1596-AR-A04819-04Size: 100 UnitsDry Ice: NoHazardous: No
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CAT#:1596-AR-A04819-04Size:100 Units
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CAS Number
7220-81-7
Synonyms
(6aR,9aS) -2,3,6a,8,9,9a-Hexahydro-4-methoxycyclopenta[c]furo[3’,2’:4,5]furo[2,3-h][1]benzopyran-1,11-dione
Molecular Formula
C17H14O6
Molecular Weight
314.29
API Name
Aflatoxin

Chemical Information

Aflatoxin B2

Aflatoxin B2 is an aflatoxin having a hexahydrocyclopenta[c]furo[3',2':4,5]furo[2,3-h]chromene skeleton with oxygen functionality at positions 1, 4 and 11.

CAS Number7220-81-7
PubChem CID2724360
IUPAC Name(3S,7R)-11-methoxy-6,8,19-trioxapentacyclo[10.7.0.02,9.03,7.013,17]nonadeca-1,9,11,13(17)-tetraene-16,18-dione
Molecular FormulaC17H14O6
Molecular Weight314.29
XLogP1.3
Topological Polar Surface Area71.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count6
Rotatable Bond Count1
Heavy Atom Count23
Formal Charge0
Complexity610
SMILES
COC1=C2C3=C(C(=O)CC3)C(=O)OC2=C4[C@@H]5CCO[C@@H]5OC4=C1
InChI
InChI=1S/C17H14O6/c1-20-10-6-11-14(8-4-5-21-17(8)22-11)15-13(10)7-2-3-9(18)12(7)16(19)23-15/h6,8,17H,2-5H2,1H3/t8-,17+/m0/s1
InChIKey
WWSYXEZEXMQWHT-WNWIJWBNSA-N
Chemical Structure
2D Structure
2D structure of Aflatoxin B2
CAS: 7220-81-7
CID: 2724360
Formula: C17H14O6
MW: 314.29
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight314.29
XLogP31.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count6
Rotatable Bond Count1
Exact Mass314.07903816
Monoisotopic Mass314.07903816
Topological Polar Surface Area71.1 Ų
Heavy Atom Count23
Formal Charge0
Complexity610
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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