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18:1 DGS-NTA (Co)

CAT: 0804-HY-N15813Size: 1 EachDry Ice: NoHazardous: No
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CAT#:0804-HY-N15813Size:1 Each
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
18:1 DGS-NTA (Co) is a chelator.
CAS Number
2316364-33-5
UNSPSC
12352005
Target
Biochemical Assay Reagents
Related Pathways
Others
Field of Research
Others
Smiles
[OH2][Co+3]([N](C1)(C2)C3CCCCNC(CCC(OC[C@H](OC(CCCCCCC/C=C\CCCCCCCC)=O)COC(CCCCCCC/C=C\CCCCCCCC)=O)=O)=O)([O-]C3=O)([O-]C2=O)([O-]C1=O)[OH2]
Molecular Formula
C53H93CoN2O15
Molecular Weight
1057.24
Shipping Conditions
Room temperature
Scientific Category
Natural Products
Clinical Information
No Development Reported

Chemical Information

dioxidanium;2-[bis(carboxylatomethyl)amino]-6-[[4-[(2R)-2,3-bis[[(Z)-octadec-9-enoyl]oxy]propoxy]-4-oxobutanoyl]amino]hexanoate;cobalt(3+)

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CAS Number2316364-33-5
PubChem CID178203702
IUPAC Namedioxidanium;2-[bis(carboxylatomethyl)amino]-6-[[4-[(2R)-2,3-bis[[(Z)-octadec-9-enoyl]oxy]propoxy]-4-oxobutanoyl]amino]hexanoate;cobalt(3+)
Molecular FormulaC53H95CoN2O15+2
Molecular Weight1059.3
Topological Polar Surface Area234
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count14
Rotatable Bond Count46
Heavy Atom Count71
Formal Charge2
Complexity1400
SMILES
CCCCCCCC/C=C\CCCCCCCC(=O)OC[C@H](COC(=O)CCC(=O)NCCCCC(C(=O)[O-])N(CC(=O)[O-])CC(=O)[O-])OC(=O)CCCCCCC/C=C\CCCCCCCC.[OH3+].[OH3+].[Co+3]
InChI
InChI=1S/C53H92N2O13.Co.2H2O/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-36-50(61)66-43-45(68-52(63)37-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2)44-67-51(62)39-38-47(56)54-40-34-33-35-46(53(64)65)55(41-48(57)58)42-49(59)60;;;/h17-20,45-46H,3-16,21-44H2,1-2H3,(H,54,56)(H,57,58)(H,59,60)(H,64,65);;2*1H2/q;+3;;/p-1/b19-17-,20-18-;;;/t45-,46?;;;/m1.../s1
InChIKey
AKGZZUWEKNZBQV-WKQUJULLSA-M
Chemical Structure
2D Structure
2D structure of dioxidanium;2-[bis(carboxylatomethyl)amino]-6-[[4-[(2R)-2,3-bis[[(Z)-octadec-9-enoyl]oxy]propoxy]-4-oxobutanoyl]amino]hexanoate;cobalt(3+)
CAS: 2316364-33-5
CID: 178203702
Formula: C53H95CoN2O15+2
MW: 1059.3
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight1059.3
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count14
Rotatable Bond Count46
Exact Mass1058.606439
Monoisotopic Mass1058.606439
Topological Polar Surface Area234 Ų
Heavy Atom Count71
Formal Charge2
Complexity1400
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count2
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count4
Compound Is CanonicalizedYes

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