Monotropein

(1S,4aS,7R,7aS)-7-hydroxy-7-(hydroxymethyl)-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4a,7a-dihydro-1H-cyclopenta[c]pyran-4-carboxylic acid

CAS: 5945-50-6

Molecular Formula	`C16H22O11`
Molecular Weight	390.34 g/mol
LogP	-3.1
Topological Polar Surface Area	186.0 A2
Hydrogen Bond Donors	7
Hydrogen Bond Acceptors	11
Rotatable Bonds	5
Exact Mass	390.1162
Heavy Atoms	27
Complexity	634.0

Chemical Identifiers

CAS Number	5945-50-6
SMILES	`C1=CC(C2C1C(=COC2OC3C(C(C(C(O3)CO)O)O)O)C(=O)O)(CO)O`
InChIKey	`HPWWQPXTUDMRBI-NJPMDSMTSA-N`

📖 Product Overview

Monotropein (CAS: 5945-50-6) is a chemical compound with molecular formula C16H22O11 and molecular weight 390.34 g/mol. Its IUPAC systematic name is (1S,4aS,7R,7aS)-7-hydroxy-7-(hydroxymethyl)-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4a,7a-dihydro-1H-cyclopenta[c]pyran-4-carboxylic acid. LogP -3.1 Topological Polar Surface Area 186.0 A2 Hydrogen Bond Donors 7 Hydrogen Bond Acceptors 11 Rotatable Bonds 5 Exact Mass 390.1162 Heavy Atoms 27 Complexity 634.0 InChI Key: HPWWQPXTUDMRBI-NJPMDSMTSA-N. SMILES: C1=CC(C2C1C(=COC2OC3C(C(C(C(O3)CO)O)O)O)C(=O)O)(CO)O.

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