Calteridol
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Calteridol
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CAS No:
132722-73-7
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Formula:
C17H29CaN4O7.H
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Chemical Name:
Calteridol
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Synonyms:
Calciate(1-),[10-[2-(hydroxy-κO)propyl]-1,4,7,10-tetraazacyclododecane-1,4,7-triacetato(3-)-κN1,κN4,κN7,κN10,κO1,κO4,κO7]-,hydrogen (1:1);Calciate(1-),[10-(2-hydroxypropyl)-1,4,7,10-tetraazacyclododecane-1,4,7-triacetato(3-)-N1,N4,N7,N10,O1,O4,O7,O10]-,hydrogen;Calciate(1-),[10-[2-(hydroxy-κO)propyl]-1,4,7,10-tetraazacyclododecane-1,4,7-triacetato(3-)-κN1,κN4,κN7,κN10,κO1,κO4,κO7]-,hydrogen;1,4,7,10-Tetraazacyclododecane-1,4,7-triacetic acid,10-(2-hydroxypropyl)-,calcium complex;1,4,7,10-Tetraazacyclododecane,calciate(1-) deriv.;Calteridol
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CAS No:
Description
H3HP-DO3A is a tricarboxylic acid that consists of 1,4,7,10-tetraazacyclododecane bearing three carboxymethyl substituents at positions 1, 4 and 7 as well as a 2-hydroxypropyl group at position 10. It is a conjugate acid of a HP-DO3A(3-). It derives from a hydride of a 1,4,7,10-tetraazacyclododecane.
Computed Properties
Molecular Weight:404.5
XLogP3:-8.2
Hydrogen Bond Donor Count:4
Hydrogen Bond Acceptor Count:11
Rotatable Bond Count:8
Exact Mass:404.22709937
Monoisotopic Mass:404.22709937
Topological Polar Surface Area:145
Heavy Atom Count:28
Complexity:488
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes