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Biotin-X-NHS

CAT: 0862-GW6213-25mgSize: 25 mgDry Ice: NoHazardous: No
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CAT#:0862-GW6213-25mgSize:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
72040-63-2
Storage Conditions
-20°C
Hazardous Class
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Chemical Information

Nhs-LC-biotin
CAS Number72040-63-2
PubChem CID83874
IUPAC Name(2,5-dioxopyrrolidin-1-yl) 6-[5-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoylamino]hexanoate
Molecular FormulaC20H30N4O6S
Molecular Weight454.5
XLogP0.1
Topological Polar Surface Area159
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count7
Rotatable Bond Count13
Heavy Atom Count31
Formal Charge0
Complexity702
SMILES
C1CC(=O)N(C1=O)OC(=O)CCCCCNC(=O)CCCC[C@H]2[C@@H]3[C@H](CS2)NC(=O)N3
InChI
InChI=1S/C20H30N4O6S/c25-15(7-4-3-6-14-19-13(12-31-14)22-20(29)23-19)21-11-5-1-2-8-18(28)30-24-16(26)9-10-17(24)27/h13-14,19H,1-12H2,(H,21,25)(H2,22,23,29)/t13-,14-,19-/m0/s1
InChIKey
UVGHPGOONBRLCX-NJSLBKSFSA-N
Chemical Structure
2D Structure
2D structure of Nhs-LC-biotin
CAS: 72040-63-2
CID: 83874
Formula: C20H30N4O6S
MW: 454.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight454.5
XLogP30.1
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count7
Rotatable Bond Count13
Exact Mass454.18860586
Monoisotopic Mass454.18860586
Topological Polar Surface Area159 Ų
Heavy Atom Count31
Formal Charge0
Complexity702
Isotope Atom Count0
Defined Atom Stereocenter Count3
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
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A14040-250Biotin-X-NHS 250mg
A14040-100Biotin-X-NHS 100mg
A14040-500Biotin-X-NHS 500mg
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abx182717-01(+)-Biotin-NHS;BIOTIN-NHS
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