pyrano[3,2-d][1,3]dioxine-7,8-diol

C7H6O5 — CID 69082707

IUPACpyrano[3,2-d][1,3]dioxine-7,8-diol
SMILESOC1=COC2=COCOC2=C1O
InChIInChI=1S/C7H6O5/c8-4-1-11-5-2-10-3-12-7(5)6(4)9/h1-2,8-9H,3H2
InChIKeySFAGPWNCWGOBJY-UHFFFAOYSA-N
MW170.12 g/mol
LogP1.03
Rot. Bonds

About pyrano[3,2-d][1,3]dioxine-7,8-diol

pyrano[3,2-d][1,3]dioxine-7,8-diol (PubChem CID 69082707) has the molecular formula C7H6O5 and a molecular weight of 170.12 g/mol. Its IUPAC name is pyrano[3,2-d][1,3]dioxine-7,8-diol.

Molecular Properties

Compound Namepyrano[3,2-d][1,3]dioxine-7,8-diol
PubChem CID69082707
Molecular FormulaC7H6O5
Molecular Weight170.12 g/mol
Exact Mass170.02
IUPAC Namepyrano[3,2-d][1,3]dioxine-7,8-diol
SMILESOC1=COC2=COCOC2=C1O
InChIInChI=1S/C7H6O5/c8-4-1-11-5-2-10-3-12-7(5)6(4)9/h1-2,8-9H,3H2
InChIKeySFAGPWNCWGOBJY-UHFFFAOYSA-N
XLogP1.03
TPSA68.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.12
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of pyrano[3,2-d][1,3]dioxine-7,8-diol?
The IUPAC name of pyrano[3,2-d][1,3]dioxine-7,8-diol (CID 69082707) is pyrano[3,2-d][1,3]dioxine-7,8-diol.
What is the SMILES notation for pyrano[3,2-d][1,3]dioxine-7,8-diol?
The canonical SMILES for pyrano[3,2-d][1,3]dioxine-7,8-diol is OC1=COC2=COCOC2=C1O.
What is the InChIKey of pyrano[3,2-d][1,3]dioxine-7,8-diol?
The InChIKey is SFAGPWNCWGOBJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6O5/c8-4-1-11-5-2-10-3-12-7(5)6(4)9/h1-2,8-9H,3H2.
What are the key properties of pyrano[3,2-d][1,3]dioxine-7,8-diol?
pyrano[3,2-d][1,3]dioxine-7,8-diol has a molecular weight of 170.12 g/mol, XLogP of 1.03, 0 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for pyrano[3,2-d][1,3]dioxine-7,8-diol is sourced from PubChem (CID 69082707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).