5-[[2-hydroxy-5-[hydroxy-[5-[[4-hydroxy-3,5-bis[hydroxy-[5-(hydroxymethyl)furan-2-yl]methyl]phenyl]methyl]furan-2-yl]methyl]phenyl]methyl]furan-2-carbaldehyde

C36H32O12 — CID 118338096

IUPAC5-[[2-hydroxy-5-[hydroxy-[5-[[4-hydroxy-3,5-bis[hydroxy-[5-(hydroxymethyl)furan-2-yl]methyl]phenyl]methyl]furan-2-yl]methyl]phenyl]methyl]furan-2-carbaldehyde
SMILESO=Cc1ccc(Cc2cc(C(O)c3ccc(Cc4cc(C(O)c5ccc(CO)o5)c(O)c(C(O)c5ccc(CO)o5)c4)o3)ccc2O)o1
InChIInChI=1S/C36H32O12/c37-16-24-3-2-23(45-24)15-21-14-20(1-7-29(21)40)33(41)30-8-4-22(46-30)11-19-12-27(35(43)31-9-5-25(17-38)47-31)34(42)28(13-19)36(44)32-10-6-26(18-39)48-32/h1-10,12-14,16,33,35-36,38-44H,11,15,17-18H2
InChIKeyVROVIEAVPJEMPT-UHFFFAOYSA-N
MW656.64 g/mol
LogP4.69
Rot. Bonds13

About 5-[[2-hydroxy-5-[hydroxy-[5-[[4-hydroxy-3,5-bis[hydroxy-[5-(hydroxymethyl)furan-2-yl]methyl]phenyl]methyl]furan-2-yl]methyl]phenyl]methyl]furan-2-carbaldehyde

5-[[2-hydroxy-5-[hydroxy-[5-[[4-hydroxy-3,5-bis[hydroxy-[5-(hydroxymethyl)furan-2-yl]methyl]phenyl]methyl]furan-2-yl]methyl]phenyl]methyl]furan-2-carbaldehyde (PubChem CID 118338096) has the molecular formula C36H32O12 and a molecular weight of 656.64 g/mol. Its IUPAC name is 5-[[2-hydroxy-5-[hydroxy-[5-[[4-hydroxy-3,5-bis[hydroxy-[5-(hydroxymethyl)furan-2-yl]methyl]phenyl]methyl]furan-2-yl]methyl]phenyl]methyl]furan-2-carbaldehyde.

Molecular Properties

Compound Name5-[[2-hydroxy-5-[hydroxy-[5-[[4-hydroxy-3,5-bis[hydroxy-[5-(hydroxymethyl)furan-2-yl]methyl]phenyl]methyl]furan-2-yl]methyl]phenyl]methyl]furan-2-carbaldehyde
PubChem CID118338096
Molecular FormulaC36H32O12
Molecular Weight656.64 g/mol
Exact Mass656.19
IUPAC Name5-[[2-hydroxy-5-[hydroxy-[5-[[4-hydroxy-3,5-bis[hydroxy-[5-(hydroxymethyl)furan-2-yl]methyl]phenyl]methyl]furan-2-yl]methyl]phenyl]methyl]furan-2-carbaldehyde
SMILESO=Cc1ccc(Cc2cc(C(O)c3ccc(Cc4cc(C(O)c5ccc(CO)o5)c(O)c(C(O)c5ccc(CO)o5)c4)o3)ccc2O)o1
InChIInChI=1S/C36H32O12/c37-16-24-3-2-23(45-24)15-21-14-20(1-7-29(21)40)33(41)30-8-4-22(46-30)11-19-12-27(35(43)31-9-5-25(17-38)47-31)34(42)28(13-19)36(44)32-10-6-26(18-39)48-32/h1-10,12-14,16,33,35-36,38-44H,11,15,17-18H2
InChIKeyVROVIEAVPJEMPT-UHFFFAOYSA-N
XLogP4.69
TPSA211.24 Ų
H-Bond Donors7
H-Bond Acceptors12
Rotatable Bonds13
Heavy Atoms48
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500656.64
LogP ≤ 54.69
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

Analyze 5-[[2-hydroxy-5-[hydroxy-[5-[[4-hydroxy-3,5-bis[hydroxy-[5-(hydroxymethyl)furan-2-yl]methyl]phenyl]methyl]furan-2-yl]methyl]phenyl]methyl]furan-2-carbaldehyde with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-[[2-hydroxy-5-[hydroxy-[5-[[4-hydroxy-3,5-bis[hydroxy-[5-(hydroxymethyl)furan-2-yl]methyl]phenyl]methyl]furan-2-yl]methyl]phenyl]methyl]furan-2-carbaldehyde?
The IUPAC name of 5-[[2-hydroxy-5-[hydroxy-[5-[[4-hydroxy-3,5-bis[hydroxy-[5-(hydroxymethyl)furan-2-yl]methyl]phenyl]methyl]furan-2-yl]methyl]phenyl]methyl]furan-2-carbaldehyde (CID 118338096) is 5-[[2-hydroxy-5-[hydroxy-[5-[[4-hydroxy-3,5-bis[hydroxy-[5-(hydroxymethyl)furan-2-yl]methyl]phenyl]methyl]furan-2-yl]methyl]phenyl]methyl]furan-2-carbaldehyde.
What is the SMILES notation for 5-[[2-hydroxy-5-[hydroxy-[5-[[4-hydroxy-3,5-bis[hydroxy-[5-(hydroxymethyl)furan-2-yl]methyl]phenyl]methyl]furan-2-yl]methyl]phenyl]methyl]furan-2-carbaldehyde?
The canonical SMILES for 5-[[2-hydroxy-5-[hydroxy-[5-[[4-hydroxy-3,5-bis[hydroxy-[5-(hydroxymethyl)furan-2-yl]methyl]phenyl]methyl]furan-2-yl]methyl]phenyl]methyl]furan-2-carbaldehyde is O=Cc1ccc(Cc2cc(C(O)c3ccc(Cc4cc(C(O)c5ccc(CO)o5)c(O)c(C(O)c5ccc(CO)o5)c4)o3)ccc2O)o1.
What is the InChIKey of 5-[[2-hydroxy-5-[hydroxy-[5-[[4-hydroxy-3,5-bis[hydroxy-[5-(hydroxymethyl)furan-2-yl]methyl]phenyl]methyl]furan-2-yl]methyl]phenyl]methyl]furan-2-carbaldehyde?
The InChIKey is VROVIEAVPJEMPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H32O12/c37-16-24-3-2-23(45-24)15-21-14-20(1-7-29(21)40)33(41)30-8-4-22(46-30)11-19-12-27(35(43)31-9-5-25(17-38)47-31)34(42)28(13-19)36(44)32-10-6-26(18-39)48-32/h1-10,12-14,16,33,35-36,38-44H,11,15,17-18H2.
What are the key properties of 5-[[2-hydroxy-5-[hydroxy-[5-[[4-hydroxy-3,5-bis[hydroxy-[5-(hydroxymethyl)furan-2-yl]methyl]phenyl]methyl]furan-2-yl]methyl]phenyl]methyl]furan-2-carbaldehyde?
5-[[2-hydroxy-5-[hydroxy-[5-[[4-hydroxy-3,5-bis[hydroxy-[5-(hydroxymethyl)furan-2-yl]methyl]phenyl]methyl]furan-2-yl]methyl]phenyl]methyl]furan-2-carbaldehyde has a molecular weight of 656.64 g/mol, XLogP of 4.69, 13 rotatable bonds, 7 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-hydroxy-5-[hydroxy-[5-[[4-hydroxy-3,5-bis[hydroxy-[5-(hydroxymethyl)furan-2-yl]methyl]phenyl]methyl]furan-2-yl]methyl]phenyl]methyl]furan-2-carbaldehyde is sourced from PubChem (CID 118338096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).