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Sulfo-NHS-Biotin

CAT: 0127-BUP06421-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0127-BUP06421-01Size:5 mg
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CAS Number
119616-38-5
Synonyms
Sulfosuccinimidobiotin, Sulfosuccinimidyl biotin, Biotin-NHS, Sulfo NHS Biotin, N-hydroxysulfosuccinimidyl biotin
Purity
=95%
Smiles
C1[C@H]2[C@@H]([C@@H](S1)CCCCC(=O)ON3C(=O)CC(C3=O)S(=O)(=O)[O-])NC(=O)N2.[Na+]

Chemical Information

(+)-biotin-3-sulfo-n-hydroxysuccinimide ester sodium salt
CAS Number119616-38-5
PubChem CID134688117
IUPAC Namesodium 1-[5-[(3aS,4S,6aS)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoyloxy]-2,5-dioxopyrrolidine-3-sulfonate
Molecular FormulaC14H18N3NaO8S2
Molecular Weight443.4
Topological Polar Surface Area196
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count9
Rotatable Bond Count8
Heavy Atom Count28
Formal Charge0
Complexity771
SMILES
C1[C@@H]2[C@@H]([C@@H](S1)CCCCC(=O)ON3C(=O)CC(C3=O)S(=O)(=O)[O-])NC(=O)N2.[Na+]
InChI
InChI=1S/C14H19N3O8S2.Na/c18-10-5-9(27(22,23)24)13(20)17(10)25-11(19)4-2-1-3-8-12-7(6-26-8)15-14(21)16-12;/h7-9,12H,1-6H2,(H2,15,16,21)(H,22,23,24);/q;+1/p-1/t7-,8+,9?,12+;/m1./s1
InChIKey
DREOJRVDBCALEG-ALPPTMNKSA-M
Chemical Structure
2D Structure
2D structure of (+)-biotin-3-sulfo-n-hydroxysuccinimide ester sodium salt
CAS: 119616-38-5
CID: 134688117
Formula: C14H18N3NaO8S2
MW: 443.4
Interactive 3D Structure
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Computed Properties
PropertyValue
Molecular Weight443.4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count9
Rotatable Bond Count8
Exact Mass443.04330117
Monoisotopic Mass443.04330117
Topological Polar Surface Area196 Ų
Heavy Atom Count28
Formal Charge0
Complexity771
Isotope Atom Count0
Defined Atom Stereocenter Count3
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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