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Sulfo-NHS-Biotin

CAT: 0607-A8001-50Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0607-A8001-50Size:50 mg
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Description
Sulfo-NHS-Biotin
CAS Number
119616-38-5
Product Name Alternative
Sodium;1-[5-[ (3aS,6aR) -2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoyloxy]-2,5-dioxopyrrolidine-3-sulfonate
Synonyms
Sulfo-NHS Biotin
Purity
0.98
Solubility
≥22.17 mg/mL in DMSO; insoluble in EtOH; ≥16.8 mg/mL in H2O with ultrasonic
Smiles
[O-]S (C (CC (N1OC (CCCCC ([C@H]2N3) SC[C@@H]2NC3=O) =O) =O) C1=O) (=O) =O.[Na+]
Molecular Formula
C14H18N3NaO8S2
Molecular Weight
443.4
Shipping Conditions
Blue Ice
Storage Conditions
Desiccate at -20°CThe product is not stable in solution, please dissolve it immediately before use.
Physical Properties
A solid

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
Loading 3D structure...
View on PubChemRaw 3D data
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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