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Tris-NTA Biotin

CAT: 0804-HY-D2355-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-D2355-01Size:1 mg
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Description
Tris-NTA Biotin is a biotin-labeled tris-NTA. tris-NTA Biotin can be used as a reversible probe to label proteins and cell surfaces reversibly[1].
CAS Number
1070867-85-4
UNSPSC
12171500
Target
Biochemical Assay Reagents
Type
Dye Reagents
Related Pathways
Others
Field of Research
Others
Assay Protocol
https://www.medchemexpress.com/tris-nta-biotin.html
Purity
99.19
Smiles
O=C(N1CCN(CCCN(CCN(CCC1)C(CC[C@@H](C(O)=O)N(CC(O)=O)CC(O)=O)=O)C(CC[C@@H](C(O)=O)N(CC(O)=O)CC(O)=O)=O)C(CC[C@@H](C(O)=O)N(CC(O)=O)CC(O)=O)=O)CCCCCNC(CCCCCNC(CCCC[C@H]2[C@]3([H])[C@](NC(N3)=O)([H])CS2)=O)=O
Molecular Formula
C59H93N11O25S
Molecular Weight
1388.49
References & Citations
[1]Strunk JJ, et al., Probing protein conformations by in situ non-covalent fluorescence labeling. Bioconjug Chem. 2009 Jan;20 (1) :41-6.
Shipping Conditions
Room Temperature
Storage Conditions
4°C (Powder, sealed storage, away from moisture and light)
Scientific Category
Dye Reagents
Clinical Information
No Development Reported

Chemical Information

tris-NTA Biotin
CAS Number1070867-85-4
PubChem CID102028677
IUPAC Name(2S)-5-[11-[6-[6-[5-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoylamino]hexanoylamino]hexanoyl]-4,8-bis[(4S)-4-[bis(carboxymethyl)amino]-4-carboxybutanoyl]-1,4,8,11-tetrazacyclotetradec-1-yl]-2-[bis(carboxymethyl)amino]-5-oxopentanoic acid
Molecular FormulaC59H93N11O25S
Molecular Weight1388.5
XLogP-9.5
Topological Polar Surface Area551
Hydrogen Bond Donor Count13
Hydrogen Bond Acceptor Count29
Rotatable Bond Count44
Heavy Atom Count96
Formal Charge0
Complexity2660
SMILES
C1CN(CCN(CCCN(CCN(C1)C(=O)CC[C@@H](C(=O)O)N(CC(=O)O)CC(=O)O)C(=O)CC[C@@H](C(=O)O)N(CC(=O)O)CC(=O)O)C(=O)CC[C@@H](C(=O)O)N(CC(=O)O)CC(=O)O)C(=O)CCCCCNC(=O)CCCCCNC(=O)CCCC[C@H]2[C@@H]3[C@H](CS2)NC(=O)N3
InChI
InChI=1S/C59H93N11O25S/c71-43(12-3-1-7-21-61-44(72)13-6-5-11-42-55-38(37-96-42)62-59(95)63-55)60-22-8-2-4-14-45(73)64-23-9-24-66(47(75)19-16-40(57(91)92)69(33-51(81)82)34-52(83)84)29-30-67(48(76)20-17-41(58(93)94)70(35-53(85)86)36-54(87)88)26-10-25-65(28-27-64)46(74)18-15-39(56(89)90)68(31-49(77)78)32-50(79)80/h38-42,55H,1-37H2,(H,60,71)(H,61,72)(H,77,78)(H,79,80)(H,81,82)(H,83,84)(H,85,86)(H,87,88)(H,89,90)(H,91,92)(H,93,94)(H2,62,63,95)/t38-,39-,40-,41-,42-,55-/m0/s1
InChIKey
ROTBJHGOGUERSI-LNQQGTGFSA-N
Chemical Structure
2D Structure
2D structure of tris-NTA Biotin
CAS: 1070867-85-4
CID: 102028677
Formula: C59H93N11O25S
MW: 1388.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight1388.5
XLogP3-9.5
Hydrogen Bond Donor Count13
Hydrogen Bond Acceptor Count29
Rotatable Bond Count44
Exact Mass1387.60647867
Monoisotopic Mass1387.60647867
Topological Polar Surface Area551 Ų
Heavy Atom Count96
Formal Charge0
Complexity2660
Isotope Atom Count0
Defined Atom Stereocenter Count6
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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