3,3,4,4,5,5-hexahydroxyoxolan-2-one

C4H6O8 — CID 91102558

IUPAC3,3,4,4,5,5-hexahydroxyoxolan-2-one
SMILESO=C1OC(O)(O)C(O)(O)C1(O)O
InChIInChI=1S/C4H6O8/c5-1-2(6,7)3(8,9)4(10,11)12-1/h6-11H
InChIKeyRIWVYTVGPYHJQB-UHFFFAOYSA-N
MW182.08 g/mol
LogP-4.46
Rot. Bonds

About 3,3,4,4,5,5-hexahydroxyoxolan-2-one

3,3,4,4,5,5-hexahydroxyoxolan-2-one (PubChem CID 91102558) has the molecular formula C4H6O8 and a molecular weight of 182.08 g/mol. Its IUPAC name is 3,3,4,4,5,5-hexahydroxyoxolan-2-one.

Molecular Properties

Compound Name3,3,4,4,5,5-hexahydroxyoxolan-2-one
PubChem CID91102558
Molecular FormulaC4H6O8
Molecular Weight182.08 g/mol
Exact Mass182.01
IUPAC Name3,3,4,4,5,5-hexahydroxyoxolan-2-one
SMILESO=C1OC(O)(O)C(O)(O)C1(O)O
InChIInChI=1S/C4H6O8/c5-1-2(6,7)3(8,9)4(10,11)12-1/h6-11H
InChIKeyRIWVYTVGPYHJQB-UHFFFAOYSA-N
XLogP-4.46
TPSA147.68 Ų
H-Bond Donors6
H-Bond Acceptors8
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500182.08
LogP ≤ 5-4.46
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

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CID 139914308
2,2,6-trihydroxy-1-methyl-3,9,10-trioxabicyclo[4.3.2]undecane-4,8,11-trione
CID 141021336
4-chloro-4-hydroxydioxetan-3-one
CID 102161112
2-hydroxy-4-oxo-1,3-dioxetane-2-carboxylic acid
CID 140991013
(5R)-5-hydroxy-5-[(2S)-2-hydroxy-5-oxofuran-2-yl]furan-2-one
CID 95562580
4,5-dihydroxy-5-(hydroxymethyl)-2-oxo-1,3-dioxolane-4-carboxylic acid
CID 145410346
2-amino-1,6-dihydroxy-2-(hydroxymethyl)-3,9,10-trioxabicyclo[4.3.2]undecane-4,8,11-trione
CID 154680740
1,12-bis(hydroxymethyl)-13,15-dioxabicyclo[10.2.2]hexadecane-2,11,14,16-tetrone
CID 169084927
(1S,3R,4R,5R)-1,3,4-trihydroxy-6-oxabicyclo[3.2.1]octan-7-one
CID 10125106
2-(2-hydroxy-3-oxooxiran-2-yl)butanedioic acid
CID 19887649
3-amino-3,6,6-trimethyl-1,4-dioxane-2,5-dione
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Frequently Asked Questions

What is the IUPAC name of 3,3,4,4,5,5-hexahydroxyoxolan-2-one?
The IUPAC name of 3,3,4,4,5,5-hexahydroxyoxolan-2-one (CID 91102558) is 3,3,4,4,5,5-hexahydroxyoxolan-2-one.
What is the SMILES notation for 3,3,4,4,5,5-hexahydroxyoxolan-2-one?
The canonical SMILES for 3,3,4,4,5,5-hexahydroxyoxolan-2-one is O=C1OC(O)(O)C(O)(O)C1(O)O.
What is the InChIKey of 3,3,4,4,5,5-hexahydroxyoxolan-2-one?
The InChIKey is RIWVYTVGPYHJQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6O8/c5-1-2(6,7)3(8,9)4(10,11)12-1/h6-11H.
What are the key properties of 3,3,4,4,5,5-hexahydroxyoxolan-2-one?
3,3,4,4,5,5-hexahydroxyoxolan-2-one has a molecular weight of 182.08 g/mol, XLogP of -4.46, 0 rotatable bonds, 6 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,4,4,5,5-hexahydroxyoxolan-2-one is sourced from PubChem (CID 91102558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).