(3S,4R,6S)-6-[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]oxane-3,4-diol

C13H22O5 — CID 101424166

IUPAC(3S,4R,6S)-6-[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]oxane-3,4-diol
SMILESO[C@@H]1C[C@@H]([C@H]2COC3(CCCCC3)O2)OC[C@@H]1O
InChIInChI=1S/C13H22O5/c14-9-6-11(16-7-10(9)15)12-8-17-13(18-12)4-2-1-3-5-13/h9-12,14-15H,1-8H2/t9-,10+,11+,12-/m1/s1
InChIKeyQJEPANGNTCRJAV-NOOOWODRSA-N
MW258.31 g/mol
LogP0.57
Rot. Bonds1

About (3S,4R,6S)-6-[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]oxane-3,4-diol

(3S,4R,6S)-6-[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]oxane-3,4-diol (PubChem CID 101424166) has the molecular formula C13H22O5 and a molecular weight of 258.31 g/mol. Its IUPAC name is (3S,4R,6S)-6-[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]oxane-3,4-diol.

Molecular Properties

Compound Name(3S,4R,6S)-6-[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]oxane-3,4-diol
PubChem CID101424166
Molecular FormulaC13H22O5
Molecular Weight258.31 g/mol
Exact Mass258.15
IUPAC Name(3S,4R,6S)-6-[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]oxane-3,4-diol
SMILESO[C@@H]1C[C@@H]([C@H]2COC3(CCCCC3)O2)OC[C@@H]1O
InChIInChI=1S/C13H22O5/c14-9-6-11(16-7-10(9)15)12-8-17-13(18-12)4-2-1-3-5-13/h9-12,14-15H,1-8H2/t9-,10+,11+,12-/m1/s1
InChIKeyQJEPANGNTCRJAV-NOOOWODRSA-N
XLogP0.57
TPSA68.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.31
LogP ≤ 50.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (3S,4R,6S)-6-[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]oxane-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

(3R)-3-[(2R)-2,5-dihydrofuran-2-yl]-1,4-dioxaspiro[4.5]decane
CID 135038138
(3aS,4R,5R,6R,7aR)-spiro[3a,4,5,6,7,7a-hexahydro-1,3-benzodioxole-2,1'-cyclohexane]-4,5,6-triol
CID 102213371
(3aR,4R,6aR)-4-[(3S)-1,4-dioxaspiro[4.5]decan-3-yl]spiro[3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole-2,1'-cyclohexane]
CID 154535606
(3aS,4R,6R,6aS)-6-[(3S)-1,4-dioxaspiro[4.5]decan-3-yl]spiro[3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole-2,1'-cyclohexane]-4-ol
CID 57337795
(3aS,4R,6S,6aR)-6-[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]spiro[3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole-2,1'-cyclohexane]-4-ol
CID 7064562
[(3R,5S)-5-[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]oxolan-3-yl] 4-methylbenzenesulfonate
CID 11101003
(14R)-17,19-dioxatricyclo[11.3.2.11,14]nonadecane
CID 135028450
5-(1,4-dioxaspiro[4.5]decan-3-yl)spiro[5,6a-dihydro-3aH-furo[2,3-d][1,3]dioxole-2,1'-cyclohexane]-6,6-diol
CID 3925400
(5R)-5-[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]-3-phenyl-4,5-dihydro-1,2-oxazole
CID 13207354
2-(1,4-dioxaspiro[4.6]undecan-3-yl)piperidine;hydrochloride
CID 138402066
CID 70790447
CID 70790447
N-hydroxy-1,4-dioxaspiro[4.5]decane-3-carboximidoyl chloride
CID 72750828

Frequently Asked Questions

What is the IUPAC name of (3S,4R,6S)-6-[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]oxane-3,4-diol?
The IUPAC name of (3S,4R,6S)-6-[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]oxane-3,4-diol (CID 101424166) is (3S,4R,6S)-6-[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]oxane-3,4-diol.
What is the SMILES notation for (3S,4R,6S)-6-[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]oxane-3,4-diol?
The canonical SMILES for (3S,4R,6S)-6-[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]oxane-3,4-diol is O[C@@H]1C[C@@H]([C@H]2COC3(CCCCC3)O2)OC[C@@H]1O.
What is the InChIKey of (3S,4R,6S)-6-[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]oxane-3,4-diol?
The InChIKey is QJEPANGNTCRJAV-NOOOWODRSA-N. The full InChI is InChI=1S/C13H22O5/c14-9-6-11(16-7-10(9)15)12-8-17-13(18-12)4-2-1-3-5-13/h9-12,14-15H,1-8H2/t9-,10+,11+,12-/m1/s1.
What are the key properties of (3S,4R,6S)-6-[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]oxane-3,4-diol?
(3S,4R,6S)-6-[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]oxane-3,4-diol has a molecular weight of 258.31 g/mol, XLogP of 0.57, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R,6S)-6-[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]oxane-3,4-diol is sourced from PubChem (CID 101424166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).