7-oxabicyclo[4.1.0]heptane-2,3,4,5-tetrol

C6H10O5 — CID 2859

IUPAC7-oxabicyclo[4.1.0]heptane-2,3,4,5-tetrol
SMILESOC1C(O)C(O)C2OC2C1O
InChIInChI=1S/C6H10O5/c7-1-2(8)4(10)6-5(11-6)3(1)9/h1-10H
InChIKeyZHMWOVGZCINIHW-UHFFFAOYSA-N
MW162.14 g/mol
LogP-2.79
Rot. Bonds

About 7-oxabicyclo[4.1.0]heptane-2,3,4,5-tetrol

7-oxabicyclo[4.1.0]heptane-2,3,4,5-tetrol (PubChem CID 2859) has the molecular formula C6H10O5 and a molecular weight of 162.14 g/mol. Its IUPAC name is 7-oxabicyclo[4.1.0]heptane-2,3,4,5-tetrol.

Molecular Properties

Compound Name7-oxabicyclo[4.1.0]heptane-2,3,4,5-tetrol
PubChem CID2859
Molecular FormulaC6H10O5
Molecular Weight162.14 g/mol
Exact Mass162.05
IUPAC Name7-oxabicyclo[4.1.0]heptane-2,3,4,5-tetrol
SMILESOC1C(O)C(O)C2OC2C1O
InChIInChI=1S/C6H10O5/c7-1-2(8)4(10)6-5(11-6)3(1)9/h1-10H
InChIKeyZHMWOVGZCINIHW-UHFFFAOYSA-N
XLogP-2.79
TPSA93.45 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.14
LogP ≤ 5-2.79
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-oxabicyclo[4.1.0]heptane-2,3,4,5-tetrol?
The IUPAC name of 7-oxabicyclo[4.1.0]heptane-2,3,4,5-tetrol (CID 2859) is 7-oxabicyclo[4.1.0]heptane-2,3,4,5-tetrol.
What is the SMILES notation for 7-oxabicyclo[4.1.0]heptane-2,3,4,5-tetrol?
The canonical SMILES for 7-oxabicyclo[4.1.0]heptane-2,3,4,5-tetrol is OC1C(O)C(O)C2OC2C1O.
What is the InChIKey of 7-oxabicyclo[4.1.0]heptane-2,3,4,5-tetrol?
The InChIKey is ZHMWOVGZCINIHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10O5/c7-1-2(8)4(10)6-5(11-6)3(1)9/h1-10H.
What are the key properties of 7-oxabicyclo[4.1.0]heptane-2,3,4,5-tetrol?
7-oxabicyclo[4.1.0]heptane-2,3,4,5-tetrol has a molecular weight of 162.14 g/mol, XLogP of -2.79, 0 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-oxabicyclo[4.1.0]heptane-2,3,4,5-tetrol is sourced from PubChem (CID 2859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).