(3S,3aR,6R,6aR)-5-[(3S,4S)-4-[(3S,4R)-4-hydroxyoxolan-3-yl]peroxyoxolan-3-yl]oxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3,6-diol

C14H22O10 — CID 130456403

IUPAC(3S,3aR,6R,6aR)-5-[(3S,4S)-4-[(3S,4R)-4-hydroxyoxolan-3-yl]peroxyoxolan-3-yl]oxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3,6-diol
SMILESO[C@@H]1COC[C@@H]1OO[C@H]1COC[C@@H]1OC1O[C@H]2[C@H](OC[C@@H]2O)[C@H]1O
InChIInChI=1S/C14H22O10/c15-6-1-18-3-8(6)23-24-10-5-19-4-9(10)21-14-11(17)13-12(22-14)7(16)2-20-13/h6-17H,1-5H2/t6-,7+,8+,9+,10+,11-,12-,13-,14?/m1/s1
InChIKeyNCHSBAPBTVEWFX-OCEPJTJBSA-N
MW350.32 g/mol
LogP-2.68
Rot. Bonds5

About (3S,3aR,6R,6aR)-5-[(3S,4S)-4-[(3S,4R)-4-hydroxyoxolan-3-yl]peroxyoxolan-3-yl]oxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3,6-diol

(3S,3aR,6R,6aR)-5-[(3S,4S)-4-[(3S,4R)-4-hydroxyoxolan-3-yl]peroxyoxolan-3-yl]oxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3,6-diol (PubChem CID 130456403) has the molecular formula C14H22O10 and a molecular weight of 350.32 g/mol. Its IUPAC name is (3S,3aR,6R,6aR)-5-[(3S,4S)-4-[(3S,4R)-4-hydroxyoxolan-3-yl]peroxyoxolan-3-yl]oxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3,6-diol.

Molecular Properties

Compound Name(3S,3aR,6R,6aR)-5-[(3S,4S)-4-[(3S,4R)-4-hydroxyoxolan-3-yl]peroxyoxolan-3-yl]oxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3,6-diol
PubChem CID130456403
Molecular FormulaC14H22O10
Molecular Weight350.32 g/mol
Exact Mass350.12
IUPAC Name(3S,3aR,6R,6aR)-5-[(3S,4S)-4-[(3S,4R)-4-hydroxyoxolan-3-yl]peroxyoxolan-3-yl]oxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3,6-diol
SMILESO[C@@H]1COC[C@@H]1OO[C@H]1COC[C@@H]1OC1O[C@H]2[C@H](OC[C@@H]2O)[C@H]1O
InChIInChI=1S/C14H22O10/c15-6-1-18-3-8(6)23-24-10-5-19-4-9(10)21-14-11(17)13-12(22-14)7(16)2-20-13/h6-17H,1-5H2/t6-,7+,8+,9+,10+,11-,12-,13-,14?/m1/s1
InChIKeyNCHSBAPBTVEWFX-OCEPJTJBSA-N
XLogP-2.68
TPSA125.30 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.32
LogP ≤ 5-2.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

Analyze (3S,3aR,6R,6aR)-5-[(3S,4S)-4-[(3S,4R)-4-hydroxyoxolan-3-yl]peroxyoxolan-3-yl]oxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3,6-diol with MolForge

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Frequently Asked Questions

What is the IUPAC name of (3S,3aR,6R,6aR)-5-[(3S,4S)-4-[(3S,4R)-4-hydroxyoxolan-3-yl]peroxyoxolan-3-yl]oxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3,6-diol?
The IUPAC name of (3S,3aR,6R,6aR)-5-[(3S,4S)-4-[(3S,4R)-4-hydroxyoxolan-3-yl]peroxyoxolan-3-yl]oxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3,6-diol (CID 130456403) is (3S,3aR,6R,6aR)-5-[(3S,4S)-4-[(3S,4R)-4-hydroxyoxolan-3-yl]peroxyoxolan-3-yl]oxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3,6-diol.
What is the SMILES notation for (3S,3aR,6R,6aR)-5-[(3S,4S)-4-[(3S,4R)-4-hydroxyoxolan-3-yl]peroxyoxolan-3-yl]oxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3,6-diol?
The canonical SMILES for (3S,3aR,6R,6aR)-5-[(3S,4S)-4-[(3S,4R)-4-hydroxyoxolan-3-yl]peroxyoxolan-3-yl]oxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3,6-diol is O[C@@H]1COC[C@@H]1OO[C@H]1COC[C@@H]1OC1O[C@H]2[C@H](OC[C@@H]2O)[C@H]1O.
What is the InChIKey of (3S,3aR,6R,6aR)-5-[(3S,4S)-4-[(3S,4R)-4-hydroxyoxolan-3-yl]peroxyoxolan-3-yl]oxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3,6-diol?
The InChIKey is NCHSBAPBTVEWFX-OCEPJTJBSA-N. The full InChI is InChI=1S/C14H22O10/c15-6-1-18-3-8(6)23-24-10-5-19-4-9(10)21-14-11(17)13-12(22-14)7(16)2-20-13/h6-17H,1-5H2/t6-,7+,8+,9+,10+,11-,12-,13-,14?/m1/s1.
What are the key properties of (3S,3aR,6R,6aR)-5-[(3S,4S)-4-[(3S,4R)-4-hydroxyoxolan-3-yl]peroxyoxolan-3-yl]oxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3,6-diol?
(3S,3aR,6R,6aR)-5-[(3S,4S)-4-[(3S,4R)-4-hydroxyoxolan-3-yl]peroxyoxolan-3-yl]oxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3,6-diol has a molecular weight of 350.32 g/mol, XLogP of -2.68, 5 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,3aR,6R,6aR)-5-[(3S,4S)-4-[(3S,4R)-4-hydroxyoxolan-3-yl]peroxyoxolan-3-yl]oxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3,6-diol is sourced from PubChem (CID 130456403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).