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Safflower yellow

CAT: 1410-M27041-02Size: 500 mgDry Ice: NoHazardous: No
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CAT#:1410-M27041-02Size:500 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
Safflower yellow is extracted from the flowers of the plant safflower (Carthamus tinctorius) .
CAS Number
1401-20-3
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
944.795
Molecular Formula
C43H44O24
Notes
Research use only, not for human use.
Receptor
——

Chemical Information

C.I. Natural Yellow 5
CAS Number1401-20-3
PubChem CID12305280
IUPAC Name(E)-3-(4-hydroxyphenyl)-1-[3,4,6-trihydroxy-2-[(3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]prop-2-en-1-one
Molecular FormulaC21H22O11
Molecular Weight450.4
XLogP0.7
Topological Polar Surface Area197
Hydrogen Bond Donor Count8
Hydrogen Bond Acceptor Count11
Rotatable Bond Count6
Heavy Atom Count32
Formal Charge0
Complexity650
SMILES
C1=CC(=CC=C1/C=C/C(=O)C2=C(C(=C(C=C2O)O)O)OC3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O
InChI
InChI=1S/C21H22O11/c22-8-14-17(28)18(29)19(30)21(31-14)32-20-15(12(25)7-13(26)16(20)27)11(24)6-3-9-1-4-10(23)5-2-9/h1-7,14,17-19,21-23,25-30H,8H2/b6-3+/t14-,17-,18+,19-,21?/m1/s1
InChIKey
CDYQWSDJFXZWAX-KWEGHWBSSA-N
Chemical Structure
2D Structure
2D structure of C.I. Natural Yellow 5
CAS: 1401-20-3
CID: 12305280
Formula: C21H22O11
MW: 450.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight450.4
XLogP30.7
Hydrogen Bond Donor Count8
Hydrogen Bond Acceptor Count11
Rotatable Bond Count6
Exact Mass450.11621151
Monoisotopic Mass450.11621151
Topological Polar Surface Area197 Ų
Heavy Atom Count32
Formal Charge0
Complexity650
Isotope Atom Count0
Defined Atom Stereocenter Count4
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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