CHEBI:28117

(2S,3R,4S,5R)-2-[[(2R,3S)-2-(3,4-dihydroxyphenyl)-3,5-dihydroxy-3,4-dihydro-2H-chromen-7-yl]oxy]oxane-3,4,5-triol

CAS: 42830-48-8

Molecular Formula	`C20H22O10`
Molecular Weight	422.4 g/mol
LogP	-1.4
Topological Polar Surface Area	169.0 A2
Hydrogen Bond Donors	7
Hydrogen Bond Acceptors	10
Rotatable Bonds	3
Exact Mass	422.1213
Heavy Atoms	30
Complexity	578.0

Chemical Identifiers

CAS Number	42830-48-8
SMILES	`C1C(C(OC2=CC(=CC(=C21)O)OC3C(C(C(CO3)O)O)O)C4=CC(=C(C=C4)O)O)O`
InChIKey	`UQKKDJWFQBNZBJ-MLYGIHNMSA-N`

📖 Product Overview

CHEBI:28117 (CAS: 42830-48-8) is a chemical compound with molecular formula C20H22O10 and molecular weight 422.4 g/mol. Its IUPAC systematic name is (2S,3R,4S,5R)-2-[[(2R,3S)-2-(3,4-dihydroxyphenyl)-3,5-dihydroxy-3,4-dihydro-2H-chromen-7-yl]oxy]oxane-3,4,5-triol. LogP -1.4 Topological Polar Surface Area 169.0 A2 Hydrogen Bond Donors 7 Hydrogen Bond Acceptors 10 Rotatable Bonds 3 Exact Mass 422.1213 Heavy Atoms 30 Complexity 578.0 InChI Key: UQKKDJWFQBNZBJ-MLYGIHNMSA-N. SMILES: C1C(C(OC2=CC(=CC(=C21)O)OC3C(C(C(CO3)O)O)O)C4=CC(=C(C=C4)O)O)O.

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