DO3A-Serotonin - CAS 2125661-93-8
Catalog: |
BB063151 |
Product Name: |
DO3A-Serotonin |
CAS: |
2125661-93-8 |
Synonyms: |
10-[2-[[2-(5-Hydroxy-1H-indol-3-yl)ethyl]amino]-2-oxoethyl]-1,4,7,10-Tetraazacyclododecane-1,4,7-triacetic acid |
IUPAC Name: | 2-[4,7-bis(carboxymethyl)-10-[2-[2-(5-hydroxy-1H-indol-3-yl)ethylamino]-2-oxoethyl]-1,4,7,10-tetrazacyclododec-1-yl]acetic acid |
Molecular Weight: | 562.62 |
Molecular Formula: | C26H38N6O8 |
Canonical SMILES: | C1CN(CCN(CCN(CCN1CC(=O)NCCC2=CNC3=C2C=C(C=C3)O)CC(=O)O)CC(=O)O)CC(=O)O |
InChI: | InChI=1S/C26H38N6O8/c33-20-1-2-22-21(13-20)19(14-28-22)3-4-27-23(34)15-29-5-7-30(16-24(35)36)9-11-32(18-26(39)40)12-10-31(8-6-29)17-25(37)38/h1-2,13-14,28,33H,3-12,15-18H2,(H,27,34)(H,35,36)(H,37,38)(H,39,40) |
InChI Key: | JLJYLVLCKBYQTD-UHFFFAOYSA-N |
Complexity: | 831 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 562.27511219 |
Formal Charge: | 0 |
Heavy Atom Count: | 40 |
Hydrogen Bond Acceptor Count: | 12 |
Hydrogen Bond Donor Count: | 6 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 562.27511219 |
Rotatable Bond Count: | 11 |
Topological Polar Surface Area: | 190Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | -7.6 |
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