2-[(5,6-dihydroxy-4-methoxy-2H-pyran-2-yl)oxy]-4-methoxy-2H-pyran-5,6-diol

C12H14O9 — CID 67084747

IUPAC2-[(5,6-dihydroxy-4-methoxy-2H-pyran-2-yl)oxy]-4-methoxy-2H-pyran-5,6-diol
SMILESCOC1=CC(OC2C=C(OC)C(O)=C(O)O2)OC(O)=C1O
InChIInChI=1S/C12H14O9/c1-17-5-3-7(20-11(15)9(5)13)19-8-4-6(18-2)10(14)12(16)21-8/h3-4,7-8,13-16H,1-2H3
InChIKeyZLOCOQNMVGDMBT-UHFFFAOYSA-N
MW302.24 g/mol
LogP1.35
Rot. Bonds4

About 2-[(5,6-dihydroxy-4-methoxy-2H-pyran-2-yl)oxy]-4-methoxy-2H-pyran-5,6-diol

2-[(5,6-dihydroxy-4-methoxy-2H-pyran-2-yl)oxy]-4-methoxy-2H-pyran-5,6-diol (PubChem CID 67084747) has the molecular formula C12H14O9 and a molecular weight of 302.24 g/mol. Its IUPAC name is 2-[(5,6-dihydroxy-4-methoxy-2H-pyran-2-yl)oxy]-4-methoxy-2H-pyran-5,6-diol.

Molecular Properties

Compound Name2-[(5,6-dihydroxy-4-methoxy-2H-pyran-2-yl)oxy]-4-methoxy-2H-pyran-5,6-diol
PubChem CID67084747
Molecular FormulaC12H14O9
Molecular Weight302.24 g/mol
Exact Mass302.06
IUPAC Name2-[(5,6-dihydroxy-4-methoxy-2H-pyran-2-yl)oxy]-4-methoxy-2H-pyran-5,6-diol
SMILESCOC1=CC(OC2C=C(OC)C(O)=C(O)O2)OC(O)=C1O
InChIInChI=1S/C12H14O9/c1-17-5-3-7(20-11(15)9(5)13)19-8-4-6(18-2)10(14)12(16)21-8/h3-4,7-8,13-16H,1-2H3
InChIKeyZLOCOQNMVGDMBT-UHFFFAOYSA-N
XLogP1.35
TPSA127.07 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.24
LogP ≤ 51.35
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 2-[(5,6-dihydroxy-4-methoxy-2H-pyran-2-yl)oxy]-4-methoxy-2H-pyran-5,6-diol?
The IUPAC name of 2-[(5,6-dihydroxy-4-methoxy-2H-pyran-2-yl)oxy]-4-methoxy-2H-pyran-5,6-diol (CID 67084747) is 2-[(5,6-dihydroxy-4-methoxy-2H-pyran-2-yl)oxy]-4-methoxy-2H-pyran-5,6-diol.
What is the SMILES notation for 2-[(5,6-dihydroxy-4-methoxy-2H-pyran-2-yl)oxy]-4-methoxy-2H-pyran-5,6-diol?
The canonical SMILES for 2-[(5,6-dihydroxy-4-methoxy-2H-pyran-2-yl)oxy]-4-methoxy-2H-pyran-5,6-diol is COC1=CC(OC2C=C(OC)C(O)=C(O)O2)OC(O)=C1O.
What is the InChIKey of 2-[(5,6-dihydroxy-4-methoxy-2H-pyran-2-yl)oxy]-4-methoxy-2H-pyran-5,6-diol?
The InChIKey is ZLOCOQNMVGDMBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14O9/c1-17-5-3-7(20-11(15)9(5)13)19-8-4-6(18-2)10(14)12(16)21-8/h3-4,7-8,13-16H,1-2H3.
What are the key properties of 2-[(5,6-dihydroxy-4-methoxy-2H-pyran-2-yl)oxy]-4-methoxy-2H-pyran-5,6-diol?
2-[(5,6-dihydroxy-4-methoxy-2H-pyran-2-yl)oxy]-4-methoxy-2H-pyran-5,6-diol has a molecular weight of 302.24 g/mol, XLogP of 1.35, 4 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5,6-dihydroxy-4-methoxy-2H-pyran-2-yl)oxy]-4-methoxy-2H-pyran-5,6-diol is sourced from PubChem (CID 67084747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).