2-(2,2-dihydroxy-1-methoxyethyl)oxolane-3,4-diol

C7H14O6 — CID 21353691

IUPAC2-(2,2-dihydroxy-1-methoxyethyl)oxolane-3,4-diol
SMILESCOC(C(O)O)C1OCC(O)C1O
InChIInChI=1S/C7H14O6/c1-12-6(7(10)11)5-4(9)3(8)2-13-5/h3-11H,2H2,1H3
InChIKeyCAGKTLLZUARUGL-UHFFFAOYSA-N
MW194.18 g/mol
LogP-2.57
Rot. Bonds3

About 2-(2,2-dihydroxy-1-methoxyethyl)oxolane-3,4-diol

2-(2,2-dihydroxy-1-methoxyethyl)oxolane-3,4-diol (PubChem CID 21353691) has the molecular formula C7H14O6 and a molecular weight of 194.18 g/mol. Its IUPAC name is 2-(2,2-dihydroxy-1-methoxyethyl)oxolane-3,4-diol.

Molecular Properties

Compound Name2-(2,2-dihydroxy-1-methoxyethyl)oxolane-3,4-diol
PubChem CID21353691
Molecular FormulaC7H14O6
Molecular Weight194.18 g/mol
Exact Mass194.08
IUPAC Name2-(2,2-dihydroxy-1-methoxyethyl)oxolane-3,4-diol
SMILESCOC(C(O)O)C1OCC(O)C1O
InChIInChI=1S/C7H14O6/c1-12-6(7(10)11)5-4(9)3(8)2-13-5/h3-11H,2H2,1H3
InChIKeyCAGKTLLZUARUGL-UHFFFAOYSA-N
XLogP-2.57
TPSA99.38 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.18
LogP ≤ 5-2.57
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

(2R,3S,4R)-2-[(1S)-1-hydroxy-2,2-dimethoxyethyl]oxolane-3,4-diol
CID 162949873
(2R,3R,4S)-2-[(1S)-1-hydroxy-2,2-dimethoxyethyl]oxolane-3,4-diol
CID 20835708
(2S,3R,4S)-2-[(1R)-1-hydroxyethyl]oxolane-3,4-diol
CID 18667402
(2S,3S,4R)-2-[1,2-dihydroxy-2-[(2S,3S,4R)-3,4,5-trihydroxyoxan-2-yl]ethyl]oxane-3,4,5-triol
CID 57168192
(2S,3R,4R,5S)-2-[chloro(hydroxy)methyl]oxane-3,4,5-triol
CID 54301911
5-methyl-6-propan-2-yloxane-3,4-diol
CID 118603929
(2S,3S,4S)-2-[(1S)-1,2-dihydroxyethyl]oxolane-3,4-diol
CID 11073753
2-(1-hydroxybutyl)oxolane-3,4-diol
CID 123496613
ethyl (2R)-2-[(2S,3S,4R)-3,4-dihydroxyoxolan-2-yl]-2-hydroxyacetate
CID 10856641
(2S,3S,4S)-2-[hydroxy(phosphorosooxy)methyl]oxolane-3,4-diol
CID 91425120
(2R)-2-[(2S,3S,4R)-3,4-dihydroxyoxolan-2-yl]-2-hydroxyacetic acid
CID 159612670
[(2R)-2-[(2R,4R)-3,4-dihydroxyoxolan-2-yl]-2-hydroxyethyl] acetate
CID 118147027

Frequently Asked Questions

What is the IUPAC name of 2-(2,2-dihydroxy-1-methoxyethyl)oxolane-3,4-diol?
The IUPAC name of 2-(2,2-dihydroxy-1-methoxyethyl)oxolane-3,4-diol (CID 21353691) is 2-(2,2-dihydroxy-1-methoxyethyl)oxolane-3,4-diol.
What is the SMILES notation for 2-(2,2-dihydroxy-1-methoxyethyl)oxolane-3,4-diol?
The canonical SMILES for 2-(2,2-dihydroxy-1-methoxyethyl)oxolane-3,4-diol is COC(C(O)O)C1OCC(O)C1O.
What is the InChIKey of 2-(2,2-dihydroxy-1-methoxyethyl)oxolane-3,4-diol?
The InChIKey is CAGKTLLZUARUGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14O6/c1-12-6(7(10)11)5-4(9)3(8)2-13-5/h3-11H,2H2,1H3.
What are the key properties of 2-(2,2-dihydroxy-1-methoxyethyl)oxolane-3,4-diol?
2-(2,2-dihydroxy-1-methoxyethyl)oxolane-3,4-diol has a molecular weight of 194.18 g/mol, XLogP of -2.57, 3 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-dihydroxy-1-methoxyethyl)oxolane-3,4-diol is sourced from PubChem (CID 21353691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).