DTXSID60860440

5-[(7,8-dihydroxy-2-thiophen-2-yl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl)oxy]-9-(4-hydroxy-3,5-dimethoxyphenyl)-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[6,5-f][1,3]benzodioxol-8-one

CAS: 125851-00-5

Molecular Formula	`C32H32O13S`
Molecular Weight	656.7 g/mol
LogP	1.2
Topological Polar Surface Area	189.0 A2
Hydrogen Bond Donors	3
Hydrogen Bond Acceptors	14
Rotatable Bonds	6
Exact Mass	656.1564
Heavy Atoms	46
Complexity	1090.0

Chemical Identifiers

CAS Number	125851-00-5
SMILES	`COC1=CC(=CC(=C1O)OC)C2C3C(COC3=O)C(C4=CC5=C(C=C24)OCO5)OC6C(C(C7C(O6)COC(O7)C8=CC=CS8)O)O`
InChIKey	`NRUKOCRGYNPUPR-UHFFFAOYSA-N`

📖 Product Overview

DTXSID60860440 (CAS: 125851-00-5) is a chemical compound with molecular formula C32H32O13S and molecular weight 656.7 g/mol. Its IUPAC systematic name is 5-[(7,8-dihydroxy-2-thiophen-2-yl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl)oxy]-9-(4-hydroxy-3,5-dimethoxyphenyl)-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[6,5-f][1,3]benzodioxol-8-one. LogP 1.2 Topological Polar Surface Area 189.0 A2 Hydrogen Bond Donors 3 Hydrogen Bond Acceptors 14 Rotatable Bonds 6 Exact Mass 656.1564 Heavy Atoms 46 Complexity 1090.0 InChI Key: NRUKOCRGYNPUPR-UHFFFAOYSA-N. SMILES: COC1=CC(=CC(=C1O)OC)C2C3C(COC3=O)C(C4=CC5=C(C=C24)OCO5)OC6C(C(C7C(O6)COC(O7)C8=CC=CS8)O)O.

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Safety Data Sheet (MSDS / SDS) View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.

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