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Sunset Yellow (E110) D4 (phenyl D4)

CAT: 0572-TRC-S825005-50MGSize: 50 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-S825005-50MGSize:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2259674-84-3
Synonyms
6-Hydroxy-5-(4-sulfophenylazo)-2-naphthalenesulfonic acid D4 (4-sulfophenyl-2,3,5,6-D4) disodium salt; 6-Hydroxy-5-(4-sulfophenylazo-2,3,5,6-d4)-2-naphthalenesulfonic acid disodium salt
Hazard Statement
No Data Available
Purity
>95% (HPLC)
Smiles
[Na+].[Na+].[2H]c1c([2H])c(c([2H])c([2H])c1N=Nc2c(O)ccc3cc(ccc23)S(=O)(=O)[O-])S(=O)(=O)[O-]
Molecular Formula
C16 D4 H6 N2 O7 S2 . 2 Na
Molecular Weight
456.394
InChI
InChI=1S/C16H12N2O7S2.2Na/c19-15-8-1-10-9-13(27(23,24)25)6-7-14(10)16(15)18-17-11-2-4-12(5-3-11)26(20,21)22;;/h1-9,19H,(H,20,21,22)(H,23,24,25);;/q;2*+1/p-2/i2D,3D,4D,5D;;
Additionnal Information
IUPAC name: disodium;6-hydroxy-5-[(E)-(2,3,5,6-tetradeuterio-4-sulfonatophenyl)diazenyl]naphthalene-2-sulfonate
Shipping Conditions
Room Temperature
Storage Conditions
+4°C

Chemical Information

Sunset Yellow (E110) D4 (phenyl D4)
CAS Number2259674-84-3
PubChem CID155817559
IUPAC Namedisodium;6-hydroxy-5-[(2,3,5,6-tetradeuterio-4-sulfonatophenyl)diazenyl]naphthalene-2-sulfonate
Molecular FormulaC16H10N2Na2O7S2
Molecular Weight456.4
Topological Polar Surface Area176
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count9
Rotatable Bond Count2
Heavy Atom Count29
Formal Charge0
Complexity722
SMILES
[2H]C1=C(C(=C(C(=C1N=NC2=C(C=CC3=C2C=CC(=C3)S(=O)(=O)[O-])O)[2H])[2H])S(=O)(=O)[O-])[2H].[Na+].[Na+]
InChI
InChI=1S/C16H12N2O7S2.2Na/c19-15-8-1-10-9-13(27(23,24)25)6-7-14(10)16(15)18-17-11-2-4-12(5-3-11)26(20,21)22;;/h1-9,19H,(H,20,21,22)(H,23,24,25);;/q;2*+1/p-2/i2D,3D,4D,5D;;
InChIKey
OIQPTROHQCGFEF-KMKMHDSOSA-L
Chemical Structure
2D Structure
2D structure of Sunset Yellow (E110) D4 (phenyl D4)
CAS: 2259674-84-3
CID: 155817559
Formula: C16H10N2Na2O7S2
MW: 456.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight456.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count9
Rotatable Bond Count2
Exact Mass455.99758856
Monoisotopic Mass455.99758856
Topological Polar Surface Area176 Ų
Heavy Atom Count29
Formal Charge0
Complexity722
Isotope Atom Count4
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count3
Compound Is CanonicalizedYes

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