Quercetin-d3 (Major)

CAT: 0024-sc-476756Size: 2.5 mgDry Ice: NoHazardous: No

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CAT#:0024-sc-476756Size:2.5 mg

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CAS Number

263711-79-1

Chemical Information

Quercetin-d3 (Major)

CAS Number	263711-79-1
PubChem CID	21600688
IUPAC Name	3,5,7-trihydroxy-2-(2,3,6-trideuterio-4,5-dihydroxyphenyl)chromen-4-one
Molecular Formula	C15H10O7
Molecular Weight	305.25
XLogP	1.5
Topological Polar Surface Area	127
Hydrogen Bond Donor Count	5
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	1
Heavy Atom Count	22
Formal Charge	0
Complexity	488

SMILES

[2H]C1=C(C(=C(C(=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)O)[2H])O)O)[2H]

InChI

InChI=1S/C15H10O7/c16-7-4-10(19)12-11(5-7)22-15(14(21)13(12)20)6-1-2-8(17)9(18)3-6/h1-5,16-19,21H/i1D,2D,3D

InChIKey

REFJWTPEDVJJIY-CBYSEHNBSA-N

Chemical Structure

2D Structure

CAS: 263711-79-1

CID: 21600688

Formula: C15H10O7

MW: 305.25

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	305.25
XLogP3	1.5
Hydrogen Bond Donor Count	5
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	1
Exact Mass	305.06148289
Monoisotopic Mass	305.06148289
Topological Polar Surface Area	127 Å²
Heavy Atom Count	22
Formal Charge	0
Complexity	488
Isotope Atom Count	3
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
sc-483305	4'-O-Methyl-d3 Quercetin
sc-483297	3-O-Methyl-d3 Quercetin
sc-483300	7-O-Methyl-d3 Quercetin
sc-483303	3'-O-Methyl-d3 Quercetin
sc-483299	5-O-Methyl-d3 Quercetin
sc-477310	Reproterol-d3 (Major)
sc-491266	Ibudilast-d3 (Major)
sc-478417	Ouabain-d3 (Major)
sc-477719	Norgestimate-d3 (major)
sc-472657	Thiamine-d3 Pyrophosphate Chloride (d3-Major)