AMMONIUM GLYCYRRHIZINATE

(2S,3S,4S,5R,6R)-6-[(2S,3R,4S,5S,6S)-2-[[(3S,4aR,6aR,6bS,8aS,11S,12aR,14aR,14bS)-11-carboxy-4,4,6a,6b,8a,11,14b-heptamethyl-14-oxo-2,3,4a,5,6,7,8,9,10,12,12a,14a-dodecahydro-1H-picen-3-yl]oxy]-6-carboxy-4,5-dihydroxyoxan-3-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid;azane

CAS: 53956-04-0

Molecular Formula	`C42H65NO16`
Molecular Weight	840.0 g/mol
Topological Polar Surface Area	268.0 A2
Hydrogen Bond Donors	9
Hydrogen Bond Acceptors	17
Rotatable Bonds	7
Exact Mass	839.43036
Heavy Atoms	59
Complexity	1730.0

Chemical Identifiers

CAS Number	53956-04-0
SMILES	`CC1(C2CCC3(C(C2(CCC1OC4C(C(C(C(O4)C(=O)O)O)O)OC5C(C(C(C(O5)C(=O)O)O)O)O)C)C(=O)C=C6C3(CCC7(C6CC(CC7)(C)C(=O)O)C)C)C)C.N`
InChIKey	`ILRKKHJEINIICQ-OOFFSTKBSA-N`

📖 Product Overview

AMMONIUM GLYCYRRHIZINATE (CAS: 53956-04-0) is a chemical compound with molecular formula C42H65NO16 and molecular weight 840.0 g/mol. Its IUPAC systematic name is (2S,3S,4S,5R,6R)-6-[(2S,3R,4S,5S,6S)-2-[[(3S,4aR,6aR,6bS,8aS,11S,12aR,14aR,14bS)-11-carboxy-4,4,6a,6b,8a,11,14b-heptamethyl-14-oxo-2,3,4a,5,6,7,8,9,10,12,12a,14a-dodecahydro-1H-picen-3-yl]oxy]-6-carboxy-4,5-dihydroxyoxan-3-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid;azane. Topological Polar Surface Area 268.0 A2 Hydrogen Bond Donors 9 Hydrogen Bond Acceptors 17 Rotatable Bonds 7 Exact Mass 839.43036 Heavy Atoms 59 Complexity 1730.0 InChI Key: ILRKKHJEINIICQ-OOFFSTKBSA-N. SMILES: CC1(C2CCC3(C(C2(CCC1OC4C(C(C(C(O4)C(=O)O)O)O)OC5C(C(C(C(O5)C(=O)O)O)O)O)C)C(=O)C=C6C3(CCC7(C6CC(CC7)(C)C(=O)O)C)C)C)C.N.

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