2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3,6-diol;2-(1,2-dihydroxyethyl)oxolane-3,4-diol;2-(hydroxymethyl)oxane-3,4,5-triol

C18H34O14 — CID 158823140

IUPAC2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3,6-diol;2-(1,2-dihydroxyethyl)oxolane-3,4-diol;2-(hydroxymethyl)oxane-3,4,5-triol
SMILESOC1COC2C(O)COC12.OCC(O)C1OCC(O)C1O.OCC1OCC(O)C(O)C1O
InChIInChI=1S/2C6H12O5.C6H10O4/c7-1-4-6(10)5(9)3(8)2-11-4;7-1-3(8)6-5(10)4(9)2-11-6;7-3-1-9-6-4(8)2-10-5(3)6/h2*3-10H,1-2H2;3-8H,1-2H2
InChIKeyIWCVFBFKHAQCKA-UHFFFAOYSA-N
MW474.46 g/mol
LogP-6.57
Rot. Bonds3

About 2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3,6-diol;2-(1,2-dihydroxyethyl)oxolane-3,4-diol;2-(hydroxymethyl)oxane-3,4,5-triol

2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3,6-diol;2-(1,2-dihydroxyethyl)oxolane-3,4-diol;2-(hydroxymethyl)oxane-3,4,5-triol (PubChem CID 158823140) has the molecular formula C18H34O14 and a molecular weight of 474.46 g/mol. Its IUPAC name is 2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3,6-diol;2-(1,2-dihydroxyethyl)oxolane-3,4-diol;2-(hydroxymethyl)oxane-3,4,5-triol.

Molecular Properties

Compound Name2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3,6-diol;2-(1,2-dihydroxyethyl)oxolane-3,4-diol;2-(hydroxymethyl)oxane-3,4,5-triol
PubChem CID158823140
Molecular FormulaC18H34O14
Molecular Weight474.46 g/mol
Exact Mass474.19
IUPAC Name2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3,6-diol;2-(1,2-dihydroxyethyl)oxolane-3,4-diol;2-(hydroxymethyl)oxane-3,4,5-triol
SMILESOC1COC2C(O)COC12.OCC(O)C1OCC(O)C1O.OCC1OCC(O)C(O)C1O
InChIInChI=1S/2C6H12O5.C6H10O4/c7-1-4-6(10)5(9)3(8)2-11-4;7-1-3(8)6-5(10)4(9)2-11-6;7-3-1-9-6-4(8)2-10-5(3)6/h2*3-10H,1-2H2;3-8H,1-2H2
InChIKeyIWCVFBFKHAQCKA-UHFFFAOYSA-N
XLogP-6.57
TPSA239.22 Ų
H-Bond Donors10
H-Bond Acceptors14
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500474.46
LogP ≤ 5-6.57
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1014

Analyze 2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3,6-diol;2-(1,2-dihydroxyethyl)oxolane-3,4-diol;2-(hydroxymethyl)oxane-3,4,5-triol 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

(2S,3S,4S)-2-[(1S)-1,2-dihydroxyethyl]oxolane-3,4-diol
CID 11073753
(3S)-2-[(1R)-1,2-dihydroxyethyl]oxane-3,4,5-triol
CID 67951819
(2S,3R,4R,5R)-2-(hydroxymethyl)oxane-3,4,5-triol
CID 6102335
(3R,4R)-2-(hydroxymethyl)oxane-3,4,5-triol
CID 59922885
ethane;2-(hydroxymethyl)oxolane-3,4-diol
CID 168985261
2-(1-hydroxybutyl)oxolane-3,4-diol
CID 123496613
1-(3-hydroxy-4-methyloxolan-2-yl)ethane-1,2-diol
CID 22967114
6-(hydroxymethyl)oxane-2,3,4,5-tetrol;heptakis(2-(hydroxymethyl)oxane-3,4,5-triol)
CID 171703405
octakis((2R,3R,4S)-2-[(1R)-1,2-dihydroxyethyl]oxolane-3,4-diol);bis(octadecanoic acid)
CID 173187500
(2S,3R,4S,5R,6R)-2-[[(1S,3S,4S,5S,8R)-3-[(2S,3R,4S,5S,6R)-2-[(2R,3S,4R)-2-[(1S)-1,2-dihydroxyethyl]-4-hydroxyoxolan-3-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-4-hydroxy-2,6-dioxabicyclo[3.2.1]octan-8-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol
CID 24748939
2-(hydroxymethyl)-5,6-dimethyloxane-3,4-diol;1-(3-hydroxy-4-methyloxolan-2-yl)ethane-1,2-diol;isocyanic acid
CID 161355505
sodium;hydride;(2R,3S,4R,5S)-2-(hydroxymethyl)oxane-3,4,5-triol;octadecan-1-amine
CID 173298395

Frequently Asked Questions

What is the IUPAC name of 2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3,6-diol;2-(1,2-dihydroxyethyl)oxolane-3,4-diol;2-(hydroxymethyl)oxane-3,4,5-triol?
The IUPAC name of 2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3,6-diol;2-(1,2-dihydroxyethyl)oxolane-3,4-diol;2-(hydroxymethyl)oxane-3,4,5-triol (CID 158823140) is 2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3,6-diol;2-(1,2-dihydroxyethyl)oxolane-3,4-diol;2-(hydroxymethyl)oxane-3,4,5-triol.
What is the SMILES notation for 2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3,6-diol;2-(1,2-dihydroxyethyl)oxolane-3,4-diol;2-(hydroxymethyl)oxane-3,4,5-triol?
The canonical SMILES for 2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3,6-diol;2-(1,2-dihydroxyethyl)oxolane-3,4-diol;2-(hydroxymethyl)oxane-3,4,5-triol is OC1COC2C(O)COC12.OCC(O)C1OCC(O)C1O.OCC1OCC(O)C(O)C1O.
What is the InChIKey of 2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3,6-diol;2-(1,2-dihydroxyethyl)oxolane-3,4-diol;2-(hydroxymethyl)oxane-3,4,5-triol?
The InChIKey is IWCVFBFKHAQCKA-UHFFFAOYSA-N. The full InChI is InChI=1S/2C6H12O5.C6H10O4/c7-1-4-6(10)5(9)3(8)2-11-4;7-1-3(8)6-5(10)4(9)2-11-6;7-3-1-9-6-4(8)2-10-5(3)6/h2*3-10H,1-2H2;3-8H,1-2H2.
What are the key properties of 2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3,6-diol;2-(1,2-dihydroxyethyl)oxolane-3,4-diol;2-(hydroxymethyl)oxane-3,4,5-triol?
2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3,6-diol;2-(1,2-dihydroxyethyl)oxolane-3,4-diol;2-(hydroxymethyl)oxane-3,4,5-triol has a molecular weight of 474.46 g/mol, XLogP of -6.57, 3 rotatable bonds, 10 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3,6-diol;2-(1,2-dihydroxyethyl)oxolane-3,4-diol;2-(hydroxymethyl)oxane-3,4,5-triol is sourced from PubChem (CID 158823140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).