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BS3 Crosslinker disodium

CAT: 0127-BUP06258-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0127-BUP06258-01Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
127634-19-9
Purity
=95%
Smiles
O=S(C(C1)C(N(OC(CCCCCCC(ON2C(C(S(=O)([O-])=O)CC2=O)=O)=O)=O)C1=O)=O)([O-])=O.[Na+].[Na+]

Chemical Information

Bis(sulfosuccinimidyl) suberate sodium salt
CAS Number127634-19-9
PubChem CID6097991
IUPAC Namedisodium;1-[8-(2,5-dioxo-3-sulfonatopyrrolidin-1-yl)oxy-8-oxooctanoyl]oxy-2,5-dioxopyrrolidine-3-sulfonate
Molecular FormulaC16H18N2Na2O14S2
Molecular Weight572.4
Topological Polar Surface Area259
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count14
Rotatable Bond Count11
Heavy Atom Count36
Formal Charge0
Complexity987
SMILES
C1C(C(=O)N(C1=O)OC(=O)CCCCCCC(=O)ON2C(=O)CC(C2=O)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+]
InChI
InChI=1S/C16H20N2O14S2.2Na/c19-11-7-9(33(25,26)27)15(23)17(11)31-13(21)5-3-1-2-4-6-14(22)32-18-12(20)8-10(16(18)24)34(28,29)30;;/h9-10H,1-8H2,(H,25,26,27)(H,28,29,30);;/q;2*+1/p-2
InChIKey
MGJYOHMBGJPESL-UHFFFAOYSA-L
Chemical Structure
2D Structure
2D structure of Bis(sulfosuccinimidyl) suberate sodium salt
CAS: 127634-19-9
CID: 6097991
Formula: C16H18N2Na2O14S2
MW: 572.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight572.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count14
Rotatable Bond Count11
Exact Mass571.99948416
Monoisotopic Mass571.99948416
Topological Polar Surface Area259 Ų
Heavy Atom Count36
Formal Charge0
Complexity987
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count2
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count3
Compound Is CanonicalizedYes

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