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Genistein-2’,6’-d2

CAT: 0572-TRC-G350005-0.5MGSize: 0.5 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-G350005-0.5MGSize:0.5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
315204-48-9
Hazard Statement
Harmful if swallowed.
Smiles
[2H]c1cc(O)cc([2H])c1C2=COc3cc(O)cc(O)c3C2=O
Molecular Formula
C15 2H2 H8 O5
Molecular Weight
272.25
InChI
InChI=1S/C15H10O5/c16-9-3-1-8(2-4-9)11-7-20-13-6-10(17)5-12(18)14(13)15(11)19/h1-7,16-18H/i1D,2D
Additionnal Information
IUPAC name: 3-(2,6-dideuterio-4-hydroxyphenyl)-5,7-dihydroxychromen-4-one
Shipping Conditions
Room Temperature
Storage Conditions
-20°C

Chemical Information

Genistein-2',6'-d2
CAS Number315204-48-9
PubChem CID10612216
IUPAC Name3-(3,5-dideuterio-4-hydroxyphenyl)-5,7-dihydroxychromen-4-one
Molecular FormulaC15H10O5
Molecular Weight272.25
XLogP2.7
Topological Polar Surface Area87
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count1
Heavy Atom Count20
Formal Charge0
Complexity410
SMILES
[2H]C1=CC(=CC(=C1O)[2H])C2=COC3=CC(=CC(=C3C2=O)O)O
InChI
InChI=1S/C15H10O5/c16-9-3-1-8(2-4-9)11-7-20-13-6-10(17)5-12(18)14(13)15(11)19/h1-7,16-18H/i3D,4D
InChIKey
TZBJGXHYKVUXJN-NMQOAUCRSA-N
Chemical Structure
2D Structure
2D structure of Genistein-2',6'-d2
CAS: 315204-48-9
CID: 10612216
Formula: C15H10O5
MW: 272.25
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight272.25
XLogP32.7
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count1
Exact Mass272.06537691
Monoisotopic Mass272.06537691
Topological Polar Surface Area87 Ų
Heavy Atom Count20
Formal Charge0
Complexity410
Isotope Atom Count2
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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