2-methyl-6-[[3,4,5-trihydroxy-6-[[6-[3-(7-hydroxy-1,3-benzodioxol-5-yl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan-6-yl]-1,3-benzodioxol-5-yl]oxy]oxan-2-yl]methoxy]oxane-3,4,5-triol

C32H38O17 — CID 162825176

About 2-methyl-6-[[3,4,5-trihydroxy-6-[[6-[3-(7-hydroxy-1,3-benzodioxol-5-yl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan-6-yl]-1,3-benzodioxol-5-yl]oxy]oxan-2-yl]methoxy]oxane-3,4,5-triol

2-methyl-6-[[3,4,5-trihydroxy-6-[[6-[3-(7-hydroxy-1,3-benzodioxol-5-yl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan-6-yl]-1,3-benzodioxol-5-yl]oxy]oxan-2-yl]methoxy]oxane-3,4,5-triol (PubChem CID 162825176) has the molecular formula C32H38O17 and a molecular weight of 694.64 g/mol. Its IUPAC name is 2-methyl-6-[[3,4,5-trihydroxy-6-[[6-[3-(7-hydroxy-1,3-benzodioxol-5-yl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan-6-yl]-1,3-benzodioxol-5-yl]oxy]oxan-2-yl]methoxy]oxane-3,4,5-triol.

Molecular Properties

• Compound Name: 2-methyl-6-[[3,4,5-trihydroxy-6-[[6-[3-(7-hydroxy-1,3-benzodioxol-5-yl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan-6-yl]-1,3-benzodioxol-5-yl]oxy]oxan-2-yl]methoxy]oxane-3,4,5-triol
• PubChem CID: 162825176
• Molecular Formula: C32H38O17
• Molecular Weight: 694.64 g/mol
• Exact Mass: 694.21
• IUPAC Name: 2-methyl-6-[[3,4,5-trihydroxy-6-[[6-[3-(7-hydroxy-1,3-benzodioxol-5-yl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan-6-yl]-1,3-benzodioxol-5-yl]oxy]oxan-2-yl]methoxy]oxane-3,4,5-triol
• SMILES: CC1OC(OCC2OC(Oc3cc4c(cc3C3OCC5C(c6cc(O)c7c(c6)OCO7)OCC35)OCO4)C(O)C(O)C2O)C(O)C(O)C1O
• InChI: InChI=1S/C32H38O17/c1-11-22(34)24(36)26(38)31(47-11)42-8-21-23(35)25(37)27(39)32(49-21)48-17-5-19-18(43-9-44-19)4-13(17)29-15-7-40-28(14(15)6-41-29)12-2-16(33)30-20(3-12)45-10-46-30/h2-5,11,14-15,21-29,31-39H,6-10H2,1H3
• InChIKey: ZZXCALXFRQHKKC-UHFFFAOYSA-N
• XLogP: -1.04
• TPSA: 233.91 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 17
• Rotatable Bonds: 7
• Heavy Atoms: 49
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	694.64
LogP ≤ 5	-1.04
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	17

Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-[[3,4,5-trihydroxy-6-[[6-[3-(7-hydroxy-1,3-benzodioxol-5-yl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan-6-yl]-1,3-benzodioxol-5-yl]oxy]oxan-2-yl]methoxy]oxane-3,4,5-triol?

The IUPAC name of 2-methyl-6-[[3,4,5-trihydroxy-6-[[6-[3-(7-hydroxy-1,3-benzodioxol-5-yl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan-6-yl]-1,3-benzodioxol-5-yl]oxy]oxan-2-yl]methoxy]oxane-3,4,5-triol (CID 162825176) is 2-methyl-6-[[3,4,5-trihydroxy-6-[[6-[3-(7-hydroxy-1,3-benzodioxol-5-yl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan-6-yl]-1,3-benzodioxol-5-yl]oxy]oxan-2-yl]methoxy]oxane-3,4,5-triol.

What is the SMILES notation for 2-methyl-6-[[3,4,5-trihydroxy-6-[[6-[3-(7-hydroxy-1,3-benzodioxol-5-yl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan-6-yl]-1,3-benzodioxol-5-yl]oxy]oxan-2-yl]methoxy]oxane-3,4,5-triol?

The canonical SMILES for 2-methyl-6-[[3,4,5-trihydroxy-6-[[6-[3-(7-hydroxy-1,3-benzodioxol-5-yl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan-6-yl]-1,3-benzodioxol-5-yl]oxy]oxan-2-yl]methoxy]oxane-3,4,5-triol is CC1OC(OCC2OC(Oc3cc4c(cc3C3OCC5C(c6cc(O)c7c(c6)OCO7)OCC35)OCO4)C(O)C(O)C2O)C(O)C(O)C1O.

What is the InChIKey of 2-methyl-6-[[3,4,5-trihydroxy-6-[[6-[3-(7-hydroxy-1,3-benzodioxol-5-yl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan-6-yl]-1,3-benzodioxol-5-yl]oxy]oxan-2-yl]methoxy]oxane-3,4,5-triol?

The InChIKey is ZZXCALXFRQHKKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H38O17/c1-11-22(34)24(36)26(38)31(47-11)42-8-21-23(35)25(37)27(39)32(49-21)48-17-5-19-18(43-9-44-19)4-13(17)29-15-7-40-28(14(15)6-41-29)12-2-16(33)30-20(3-12)45-10-46-30/h2-5,11,14-15,21-29,31-39H,6-10H2,1H3.

What are the key properties of 2-methyl-6-[[3,4,5-trihydroxy-6-[[6-[3-(7-hydroxy-1,3-benzodioxol-5-yl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan-6-yl]-1,3-benzodioxol-5-yl]oxy]oxan-2-yl]methoxy]oxane-3,4,5-triol?

2-methyl-6-[[3,4,5-trihydroxy-6-[[6-[3-(7-hydroxy-1,3-benzodioxol-5-yl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan-6-yl]-1,3-benzodioxol-5-yl]oxy]oxan-2-yl]methoxy]oxane-3,4,5-triol has a molecular weight of 694.64 g/mol, XLogP of -1.04, 7 rotatable bonds, 7 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for 2-methyl-6-[[3,4,5-trihydroxy-6-[[6-[3-(7-hydroxy-1,3-benzodioxol-5-yl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan-6-yl]-1,3-benzodioxol-5-yl]oxy]oxan-2-yl]methoxy]oxane-3,4,5-triol is sourced from PubChem (CID 162825176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).