6-[(3,4-dihydroxy-2H-pyran-2-yl)oxy]-2H-pyran-4,5-diol

C10H10O7 — CID 70378264

IUPAC6-[(3,4-dihydroxy-2H-pyran-2-yl)oxy]-2H-pyran-4,5-diol
SMILESOC1=CCOC(OC2OC=CC(O)=C2O)=C1O
InChIInChI=1S/C10H10O7/c11-5-1-3-15-9(7(5)13)17-10-8(14)6(12)2-4-16-10/h1-3,9,11-14H,4H2
InChIKeyNXJWPKFULSEZJP-UHFFFAOYSA-N
MW242.18 g/mol
LogP1.40
Rot. Bonds2

About 6-[(3,4-dihydroxy-2H-pyran-2-yl)oxy]-2H-pyran-4,5-diol

6-[(3,4-dihydroxy-2H-pyran-2-yl)oxy]-2H-pyran-4,5-diol (PubChem CID 70378264) has the molecular formula C10H10O7 and a molecular weight of 242.18 g/mol. Its IUPAC name is 6-[(3,4-dihydroxy-2H-pyran-2-yl)oxy]-2H-pyran-4,5-diol.

Molecular Properties

Compound Name6-[(3,4-dihydroxy-2H-pyran-2-yl)oxy]-2H-pyran-4,5-diol
PubChem CID70378264
Molecular FormulaC10H10O7
Molecular Weight242.18 g/mol
Exact Mass242.04
IUPAC Name6-[(3,4-dihydroxy-2H-pyran-2-yl)oxy]-2H-pyran-4,5-diol
SMILESOC1=CCOC(OC2OC=CC(O)=C2O)=C1O
InChIInChI=1S/C10H10O7/c11-5-1-3-15-9(7(5)13)17-10-8(14)6(12)2-4-16-10/h1-3,9,11-14H,4H2
InChIKeyNXJWPKFULSEZJP-UHFFFAOYSA-N
XLogP1.40
TPSA108.61 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.18
LogP ≤ 51.40
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-[(3,4-dihydroxy-2H-pyran-2-yl)oxy]-2H-pyran-4,5-diol?
The IUPAC name of 6-[(3,4-dihydroxy-2H-pyran-2-yl)oxy]-2H-pyran-4,5-diol (CID 70378264) is 6-[(3,4-dihydroxy-2H-pyran-2-yl)oxy]-2H-pyran-4,5-diol.
What is the SMILES notation for 6-[(3,4-dihydroxy-2H-pyran-2-yl)oxy]-2H-pyran-4,5-diol?
The canonical SMILES for 6-[(3,4-dihydroxy-2H-pyran-2-yl)oxy]-2H-pyran-4,5-diol is OC1=CCOC(OC2OC=CC(O)=C2O)=C1O.
What is the InChIKey of 6-[(3,4-dihydroxy-2H-pyran-2-yl)oxy]-2H-pyran-4,5-diol?
The InChIKey is NXJWPKFULSEZJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10O7/c11-5-1-3-15-9(7(5)13)17-10-8(14)6(12)2-4-16-10/h1-3,9,11-14H,4H2.
What are the key properties of 6-[(3,4-dihydroxy-2H-pyran-2-yl)oxy]-2H-pyran-4,5-diol?
6-[(3,4-dihydroxy-2H-pyran-2-yl)oxy]-2H-pyran-4,5-diol has a molecular weight of 242.18 g/mol, XLogP of 1.40, 2 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3,4-dihydroxy-2H-pyran-2-yl)oxy]-2H-pyran-4,5-diol is sourced from PubChem (CID 70378264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).