DTXSID001103843

[(2R,3R,4R,5R,6R)-6-[2-(3,4-dihydroxyphenyl)ethoxy]-5-hydroxy-2-(hydroxymethyl)-4-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-3-yl] 3-(3,4-dihydroxyphenyl)prop-2-enoate

CAS: 166019-50-7

Molecular Formula	`C29H36O15`
Molecular Weight	624.6 g/mol
LogP	-0.5
Topological Polar Surface Area	245.0 A2
Hydrogen Bond Donors	9
Hydrogen Bond Acceptors	15
Rotatable Bonds	11
Exact Mass	624.20544
Heavy Atoms	44
Complexity	936.0

Chemical Identifiers

CAS Number	166019-50-7
SMILES	`CC1C(C(C(C(O1)OC2C(C(OC(C2OC(=O)C=CC3=CC(=C(C=C3)O)O)CO)OCCC4=CC(=C(C=C4)O)O)O)O)O)O`
InChIKey	`FBSKJMQYURKNSU-QJDQKFITSA-N`

📖 Product Overview

DTXSID001103843 (CAS: 166019-50-7) is a chemical compound with molecular formula C29H36O15 and molecular weight 624.6 g/mol. Its IUPAC systematic name is [(2R,3R,4R,5R,6R)-6-[2-(3,4-dihydroxyphenyl)ethoxy]-5-hydroxy-2-(hydroxymethyl)-4-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-3-yl] 3-(3,4-dihydroxyphenyl)prop-2-enoate. LogP -0.5 Topological Polar Surface Area 245.0 A2 Hydrogen Bond Donors 9 Hydrogen Bond Acceptors 15 Rotatable Bonds 11 Exact Mass 624.20544 Heavy Atoms 44 Complexity 936.0 InChI Key: FBSKJMQYURKNSU-QJDQKFITSA-N. SMILES: CC1C(C(C(C(O1)OC2C(C(OC(C2OC(=O)C=CC3=CC(=C(C=C3)O)O)CO)OCCC4=CC(=C(C=C4)O)O)O)O)O)O.

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