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Sulfo-LC-SPDP

CAT: 0607-BA2537-25Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0607-BA2537-25Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
150244-18-1
Form
A solid
Molecular Formula
C18H23N3O8S3
Molecular Weight
505.59
Shipping Conditions
Blue ice
Storage Conditions
-20°C.

Chemical Information

Sulphosuccinimidyl 6-(3-(2-pyridyldithio)propionamido)hexanoate
CAS Number150244-18-1
PubChem CID4588468
IUPAC Name2,5-dioxo-1-[6-[3-(pyridin-2-yldisulfanyl)propanoylamino]hexanoyloxy]pyrrolidine-3-sulfonic acid
Molecular FormulaC18H23N3O8S3
Molecular Weight505.6
XLogP0.6
Topological Polar Surface Area219
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count11
Rotatable Bond Count14
Heavy Atom Count32
Formal Charge0
Complexity787
SMILES
C1C(C(=O)N(C1=O)OC(=O)CCCCCNC(=O)CCSSC2=CC=CC=N2)S(=O)(=O)O
InChI
InChI=1S/C18H23N3O8S3/c22-14(8-11-30-31-15-6-3-5-10-20-15)19-9-4-1-2-7-17(24)29-21-16(23)12-13(18(21)25)32(26,27)28/h3,5-6,10,13H,1-2,4,7-9,11-12H2,(H,19,22)(H,26,27,28)
InChIKey
ASNTZYQMIUCEBV-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Sulphosuccinimidyl 6-(3-(2-pyridyldithio)propionamido)hexanoate
CAS: 150244-18-1
CID: 4588468
Formula: C18H23N3O8S3
MW: 505.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight505.6
XLogP30.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count11
Rotatable Bond Count14
Exact Mass505.06472822
Monoisotopic Mass505.06472822
Topological Polar Surface Area219 Ų
Heavy Atom Count32
Formal Charge0
Complexity787
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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