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262-76-0 | Corrin
CAS No: 262-76-0 Catalog No: AG002S8O MDL No:
Product Description
Catalog Number:
AG002S8O
Chemical Name:
Corrin
CAS Number:
262-76-0
Molecular Formula:
C19H22N4
Molecular Weight:
306.4048
IUPAC Name:
(5Z,9Z,14Z)-2,3,7,8,12,13,17,18,19,22-decahydro-1H-corrin
InChI:
InChI=1S/C19H22N4/c1-3-14-10-16-5-7-18(22-16)19-8-6-17(23-19)11-15-4-2-13(21-15)9-12(1)20-14/h9-11,18-20H,1-8H2/b12-9-,14-10-,15-11-
InChI Key:
PXOPDYTVWWQZEK-DPQCFBEESA-N
SMILES:
C1CC2=CC3=NC(=CC4=NC(C5NC(=CC1=N2)CC5)CC4)CC3
UNII:
288E04GRMT
Properties
Complexity:
733
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
3
Exact Mass:
306.184g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
306.413g/mol
Monoisotopic Mass:
306.184g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
49.1A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
0.3
Literature
| Title | Journal |
|---|---|
| Relative Propensities of Cytochrome c Oxidase and Cobalt Corrins for Reaction with Cyanide and Oxygen: Implications for Amelioration of Cyanide Toxicity. | Chemical research in toxicology 20171218 |
| cis influence in models of cobalt corrins by DFT and TD-DFT studies. | The journal of physical chemistry. B 20120802 |
| 7-Decarboxymethyl-cobyrinates: vitamin B12-derivatives that lack the c-side chain. | Chemistry (Weinheim an der Bergstrasse, Germany) 20120716 |
| Ultrafast infrared spectral fingerprints of vitamin B12 and related cobalamins. | The journal of physical chemistry. A 20120614 |
| Corrin ring-induced redox tuning. | Chemical communications (Cambridge, England) 20120511 |
| The reaction of HOCl and cyanocobalamin: corrin destruction and the liberation of cyanogen chloride. | Free radical biology & medicine 20120201 |
| Probing the nature of the Co(III) ion in corrins: a comparison of the thermodynamics and kinetics of the ligand substitution reactions of aquacyanocobyrinic acid heptamethyl ester and stable yellow aquacyanocobyrinic acid heptamethyl ester. | Inorganic chemistry 20110919 |
| The change of corrin-amides to carboxylates leads to altered structures of the B12-responding btuB riboswitch. | Chemical communications (Cambridge, England) 20110107 |
| Trifluoracetic acid-assisted crystallization of vitamin B12 results in protonation of the phosphate group of the nucleotide loop: insight into the influence of crystal packing forces on vitamin B12 structures. | Inorganic chemistry 20110103 |
| Characterisation of PduS, the pdu metabolosome corrin reductase, and evidence of substructural organisation within the bacterial microcompartment. | PloS one 20100101 |
| A straightforward method for the colorimetric detection of endogenous biological cyanide. | Analytical chemistry 20091115 |
| Time-dependent density functional theory study of cobalt corrinoids: Electronically excited states of methylcobalamin. | The Journal of chemical physics 20080828 |
| The corrin moiety of coenzyme B12 is the determinant for switching the btuB riboswitch of E. coli. | Chembiochem : a European journal of chemical biology 20080616 |
| Identification, characterization, and structure/function analysis of a corrin reductase involved in adenosylcobalamin biosynthesis. | The Journal of biological chemistry 20080418 |
| First principles study of coenzyme B12. Crystal packing forces effect on axial bond lengths. | The journal of physical chemistry. B 20070329 |
| Photophysical properties of a series of free-base corroles. | The journal of physical chemistry. A 20050825 |
| Vitamin B12 as an allosteric cofactor; dual fluorescence, hysteresis, oscillations and the selection of corrin over porphyrin. | Dalton transactions (Cambridge, England : 2003) 20040721 |
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