Keracyanin chloride

(2R,3R,4R,5R,6S)-2-[[(2R,3S,4S,5R,6S)-6-[2-(3,4-dihydroxyphenyl)-5,7-dihydroxychromenylium-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-6-methyloxane-3,4,5-triol chloride

CAS: 18719-76-1

Molecular Formula	`C27H31ClO15`
Molecular Weight	631.0 g/mol
Topological Polar Surface Area	240.0 A2
Hydrogen Bond Donors	10
Hydrogen Bond Acceptors	15
Rotatable Bonds	6
Exact Mass	630.13513
Heavy Atoms	43
Complexity	882.0

Chemical Identifiers

CAS Number	18719-76-1
SMILES	`CC1C(C(C(C(O1)OCC2C(C(C(C(O2)OC3=CC4=C(C=C(C=C4[O+]=C3C5=CC(=C(C=C5)O)O)O)O)O)O)O)O)O)O.[Cl-]`
InChIKey	`ADZHXBNWNZIHIX-XYGAWYNKSA-N`

📖 Product Overview

Keracyanin chloride (CAS: 18719-76-1) is a chemical compound with molecular formula C27H31ClO15 and molecular weight 631.0 g/mol. Its IUPAC systematic name is (2R,3R,4R,5R,6S)-2-[[(2R,3S,4S,5R,6S)-6-[2-(3,4-dihydroxyphenyl)-5,7-dihydroxychromenylium-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-6-methyloxane-3,4,5-triol chloride. Topological Polar Surface Area 240.0 A2 Hydrogen Bond Donors 10 Hydrogen Bond Acceptors 15 Rotatable Bonds 6 Exact Mass 630.13513 Heavy Atoms 43 Complexity 882.0 InChI Key: ADZHXBNWNZIHIX-XYGAWYNKSA-N. SMILES: CC1C(C(C(C(O1)OCC2C(C(C(C(O2)OC3=CC4=C(C=C(C=C4[O+]=C3C5=CC(=C(C=C5)O)O)O)O)O)O)O)O)O)O.[Cl-].

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