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Aflatoxin G2-d3

CAT: 0572-TRC-A357487-5MGSize: 5 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-A357487-5MGSize:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1217758-21-8
Synonyms
(7aR,10aS)-3,4,7a,9,10,10a-Hexahydro-5-(methoxy-d3)-1H,12H-furo[3',2':4,5]furo[2,3-h]pyrano[3,4-c][1]benzopyran-1,12-dione; Dihydroaflatoxin G1-d3
Hazard Statement
Fatal if swallowed; UN number: UN3462; Packing Group: I
Purity
>95% (HPLC)
Smiles
[2H]C([2H])([2H])Oc1cc2O[C@H]3OCC[C@H]3c2c4OC(=O)C5=C(CCOC5=O)c14
Molecular Formula
C17 D3 H11 O7
Molecular Weight
333.31
InChI
InChI=1S/C17H14O7/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/h6,8,17H,2-5H2,1H3/t8-,17+/m0/s1/i1D3
Shipping Conditions
Room Temperature
Storage Conditions
-20°C

Chemical Information

(7aR,10aS)-3,4,7a,9,10,10a-Hexahydro-5-(methoxy-d3)-1H,12H-furo[3',2':4,5]furo[2,3-h]pyrano[3,4-c][1]benzopyran-1,12-dione
CAS Number1217758-21-8
PubChem CID46780095
IUPAC Name(3S,7R)-11-(trideuteriomethoxy)-6,8,16,20-tetraoxapentacyclo[10.8.0.02,9.03,7.013,18]icosa-1,9,11,13(18)-tetraene-17,19-dione
Molecular FormulaC17H14O7
Molecular Weight333.31
XLogP1.5
Topological Polar Surface Area80.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count7
Rotatable Bond Count1
Heavy Atom Count24
Formal Charge0
Complexity626
SMILES
[2H]C([2H])([2H])OC1=C2C3=C(C(=O)OCC3)C(=O)OC2=C4[C@@H]5CCO[C@@H]5OC4=C1
InChI
InChI=1S/C17H14O7/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/h6,8,17H,2-5H2,1H3/t8-,17+/m0/s1/i1D3
InChIKey
WPCVRWVBBXIRMA-QVDKJMHESA-N
Chemical Structure
2D Structure
2D structure of (7aR,10aS)-3,4,7a,9,10,10a-Hexahydro-5-(methoxy-d3)-1H,12H-furo[3',2':4,5]furo[2,3-h]pyrano[3,4-c][1]benzopyran-1,12-dione
CAS: 1217758-21-8
CID: 46780095
Formula: C17H14O7
MW: 333.31
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight333.31
XLogP31.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count7
Rotatable Bond Count1
Exact Mass333.09278302
Monoisotopic Mass333.09278302
Topological Polar Surface Area80.3 Ų
Heavy Atom Count24
Formal Charge0
Complexity626
Isotope Atom Count3
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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