RefChem:1093010

2-[4-[6-[3,5-dimethoxy-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan-3-yl]-2,6-dimethoxyphenoxy]-6-(hydroxymethyl)oxane-3,4,5-triol

CAS: 96038-87-8

Molecular Formula	`C34H46O18`
Molecular Weight	742.7 g/mol
LogP	-1.4
Topological Polar Surface Area	254.0 A2
Hydrogen Bond Donors	8
Hydrogen Bond Acceptors	18
Rotatable Bonds	12
Exact Mass	742.26843
Heavy Atoms	52
Complexity	1010.0

Chemical Identifiers

CAS Number	96038-87-8
SMILES	`COC1=CC(=CC(=C1OC2C(C(C(C(O2)CO)O)O)O)OC)C3C4COC(C4CO3)C5=CC(=C(C(=C5)OC)OC6C(C(C(C(O6)CO)O)O)O)OC`
InChIKey	`FFDULTAFAQRACT-UHFFFAOYSA-N`

📖 Product Overview

RefChem:1093010 (CAS: 96038-87-8) is a chemical compound with molecular formula C34H46O18 and molecular weight 742.7 g/mol. Its IUPAC systematic name is 2-[4-[6-[3,5-dimethoxy-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan-3-yl]-2,6-dimethoxyphenoxy]-6-(hydroxymethyl)oxane-3,4,5-triol. LogP -1.4 Topological Polar Surface Area 254.0 A2 Hydrogen Bond Donors 8 Hydrogen Bond Acceptors 18 Rotatable Bonds 12 Exact Mass 742.26843 Heavy Atoms 52 Complexity 1010.0 InChI Key: FFDULTAFAQRACT-UHFFFAOYSA-N. SMILES: COC1=CC(=CC(=C1OC2C(C(C(C(O2)CO)O)O)O)OC)C3C4COC(C4CO3)C5=CC(=C(C(=C5)OC)OC6C(C(C(C(O6)CO)O)O)O)OC.

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