bis((3S,4R)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-3,4-diol);(3R,4R)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-3,4-diol;(3S,4S)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-3,4-diol

C24H40O16 — CID 158449841

IUPACbis((3S,4R)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-3,4-diol);(3R,4R)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-3,4-diol;(3S,4S)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-3,4-diol
SMILESO[C@@H]1COC2OC[C@@H](O)C21.O[C@@H]1COC2OC[C@H](O)C21.O[C@@H]1COC2OC[C@H](O)C21.O[C@H]1COC2OC[C@H](O)C21
InChIInChI=1S/4C6H10O4/c4*7-3-1-9-6-5(3)4(8)2-10-6/h4*3-8H,1-2H2/t2*3-,4+,5?,6?;2*3-,4-,5?,6?/m..10/s1
InChIKeyHDVOYGWGTXPXJY-BUQUUWLTSA-N
MW584.57 g/mol
LogP-5.16
Rot. Bonds

About bis((3S,4R)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-3,4-diol);(3R,4R)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-3,4-diol;(3S,4S)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-3,4-diol

bis((3S,4R)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-3,4-diol);(3R,4R)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-3,4-diol;(3S,4S)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-3,4-diol (PubChem CID 158449841) has the molecular formula C24H40O16 and a molecular weight of 584.57 g/mol. Its IUPAC name is bis((3S,4R)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-3,4-diol);(3R,4R)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-3,4-diol;(3S,4S)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-3,4-diol.

Molecular Properties

Compound Namebis((3S,4R)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-3,4-diol);(3R,4R)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-3,4-diol;(3S,4S)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-3,4-diol
PubChem CID158449841
Molecular FormulaC24H40O16
Molecular Weight584.57 g/mol
Exact Mass584.23
IUPAC Namebis((3S,4R)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-3,4-diol);(3R,4R)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-3,4-diol;(3S,4S)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-3,4-diol
SMILESO[C@@H]1COC2OC[C@@H](O)C21.O[C@@H]1COC2OC[C@H](O)C21.O[C@@H]1COC2OC[C@H](O)C21.O[C@H]1COC2OC[C@H](O)C21
InChIInChI=1S/4C6H10O4/c4*7-3-1-9-6-5(3)4(8)2-10-6/h4*3-8H,1-2H2/t2*3-,4+,5?,6?;2*3-,4-,5?,6?/m..10/s1
InChIKeyHDVOYGWGTXPXJY-BUQUUWLTSA-N
XLogP-5.16
TPSA235.68 Ų
H-Bond Donors8
H-Bond Acceptors16
Rotatable Bonds
Heavy Atoms40
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500584.57
LogP ≤ 5-5.16
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1016

Analyze bis((3S,4R)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-3,4-diol);(3R,4R)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-3,4-diol;(3S,4S)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-3,4-diol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3aR,6aS)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3,6-diol
CID 129010301
(3aS)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3,6-diol
CID 145221120
(3aS,4R,6aR)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-ol;(3aR,4R,6aS)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-ol
CID 159842811
(4R,5S,6R,7S)-2,8-dioxabicyclo[3.2.1]octane-4,6,7-triol
CID 178051967
(3aR,4R,6aR)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-ol
CID 124524160
(3aS,4R)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-ol
CID 69459334
(1S,4S,6R,7S,11S)-2,10-dioxatricyclo[5.3.1.04,11]undecan-6-ol
CID 138979764
(3aS,6aR)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-ol;ethane
CID 142011906
(3R,3aS,6aR)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-5-ylium-3-ol
CID 58186662
(4S)-oxane-2,3,4,5-tetrol
CID 135265936
(4S,5R)-oxane-2,3,4,5-tetrol
CID 71313478
(3S,4R)-(313C)oxolane-2,3,4-triol
CID 90472722

Frequently Asked Questions

What is the IUPAC name of bis((3S,4R)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-3,4-diol);(3R,4R)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-3,4-diol;(3S,4S)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-3,4-diol?
The IUPAC name of bis((3S,4R)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-3,4-diol);(3R,4R)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-3,4-diol;(3S,4S)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-3,4-diol (CID 158449841) is bis((3S,4R)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-3,4-diol);(3R,4R)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-3,4-diol;(3S,4S)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-3,4-diol.
What is the SMILES notation for bis((3S,4R)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-3,4-diol);(3R,4R)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-3,4-diol;(3S,4S)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-3,4-diol?
The canonical SMILES for bis((3S,4R)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-3,4-diol);(3R,4R)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-3,4-diol;(3S,4S)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-3,4-diol is O[C@@H]1COC2OC[C@@H](O)C21.O[C@@H]1COC2OC[C@H](O)C21.O[C@@H]1COC2OC[C@H](O)C21.O[C@H]1COC2OC[C@H](O)C21.
What is the InChIKey of bis((3S,4R)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-3,4-diol);(3R,4R)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-3,4-diol;(3S,4S)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-3,4-diol?
The InChIKey is HDVOYGWGTXPXJY-BUQUUWLTSA-N. The full InChI is InChI=1S/4C6H10O4/c4*7-3-1-9-6-5(3)4(8)2-10-6/h4*3-8H,1-2H2/t2*3-,4+,5?,6?;2*3-,4-,5?,6?/m..10/s1.
What are the key properties of bis((3S,4R)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-3,4-diol);(3R,4R)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-3,4-diol;(3S,4S)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-3,4-diol?
bis((3S,4R)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-3,4-diol);(3R,4R)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-3,4-diol;(3S,4S)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-3,4-diol has a molecular weight of 584.57 g/mol, XLogP of -5.16, 0 rotatable bonds, 8 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for bis((3S,4R)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-3,4-diol);(3R,4R)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-3,4-diol;(3S,4S)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-3,4-diol is sourced from PubChem (CID 158449841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).