THPTA ligand - CAS 760952-88-3
Catalog: |
BB035496 |
Product Name: |
THPTA ligand |
CAS: |
760952-88-3 |
Synonyms: |
THPTA; tris(3-hydroxypropyltriazolylmethyl)amine; 3,3',3''-(4,4',4''-(nitrilotris(methylene))tris(1H-1,2,3-triazole-4,1-diyl))tris(propan-1-ol) |
IUPAC Name: | 3-[4-[[bis[[1-(3-hydroxypropyl)triazol-4-yl]methyl]amino]methyl]triazol-1-yl]propan-1-ol |
Description: | THPTA ligand is a triazole ligand for water-based copper-catalyzed click chemistry reactions. |
Molecular Weight: | 434.50 |
Molecular Formula: | C18H30N10O3 |
Canonical SMILES: | C1=C(N=NN1CCCO)CN(CC2=CN(N=N2)CCCO)CC3=CN(N=N3)CCCO |
InChI: | InChI=1S/C18H30N10O3/c29-7-1-4-26-13-16(19-22-26)10-25(11-17-14-27(23-20-17)5-2-8-30)12-18-15-28(24-21-18)6-3-9-31/h13-15,29-31H,1-12H2 |
InChI Key: | VAKXPQHQQNOUEZ-UHFFFAOYSA-N |
Appearance: | Off White Solid |
LogP: | -0.74760 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
WO-2021067313-A1 | Eukaryotic semi-synthetic organisms | 20190930 |
WO-2019157362-A1 | Array-based cyclic peptide libraries | 20180209 |
EP-3749676-A1 | Array-based cyclic peptide libraries | 20180209 |
US-2020407712-A1 | Array-based cyclic peptide libraries | 20180209 |
IL-275467-D0 | Linear-stranded double-stranded DNA for single support or tag and methods for producing linear double-stranded DNA | 20171221 |
Complexity: | 427 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 434.25023486 |
Formal Charge: | 0 |
Heavy Atom Count: | 31 |
Hydrogen Bond Acceptor Count: | 10 |
Hydrogen Bond Donor Count: | 3 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 434.25023486 |
Rotatable Bond Count: | 15 |
Topological Polar Surface Area: | 156 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | -3 |
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