(2R,3S,5S)-2-[(1S)-1,2-dihydroxyethyl]-5-methoxyoxolane-3,4-diol

C7H14O6 — CID 130444434

IUPAC(2R,3S,5S)-2-[(1S)-1,2-dihydroxyethyl]-5-methoxyoxolane-3,4-diol
SMILESCO[C@H]1O[C@H]([C@@H](O)CO)[C@@H](O)C1O
InChIInChI=1S/C7H14O6/c1-12-7-5(11)4(10)6(13-7)3(9)2-8/h3-11H,2H2,1H3/t3-,4-,5?,6+,7-/m0/s1
InChIKeyZSQBOIUCEISYSW-OIEISSNZSA-N
MW194.18 g/mol
LogP-2.57
Rot. Bonds3

About (2R,3S,5S)-2-[(1S)-1,2-dihydroxyethyl]-5-methoxyoxolane-3,4-diol

(2R,3S,5S)-2-[(1S)-1,2-dihydroxyethyl]-5-methoxyoxolane-3,4-diol (PubChem CID 130444434) has the molecular formula C7H14O6 and a molecular weight of 194.18 g/mol. Its IUPAC name is (2R,3S,5S)-2-[(1S)-1,2-dihydroxyethyl]-5-methoxyoxolane-3,4-diol.

Molecular Properties

Compound Name(2R,3S,5S)-2-[(1S)-1,2-dihydroxyethyl]-5-methoxyoxolane-3,4-diol
PubChem CID130444434
Molecular FormulaC7H14O6
Molecular Weight194.18 g/mol
Exact Mass194.08
IUPAC Name(2R,3S,5S)-2-[(1S)-1,2-dihydroxyethyl]-5-methoxyoxolane-3,4-diol
SMILESCO[C@H]1O[C@H]([C@@H](O)CO)[C@@H](O)C1O
InChIInChI=1S/C7H14O6/c1-12-7-5(11)4(10)6(13-7)3(9)2-8/h3-11H,2H2,1H3/t3-,4-,5?,6+,7-/m0/s1
InChIKeyZSQBOIUCEISYSW-OIEISSNZSA-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

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Related Compounds

(2R,3S,4S,5R)-2-[(1R)-1,2-dihydroxyethyl]-6-methoxyoxane-3,4,5-triol
CID 18664777
(1R)-1-[(2S,3R,4S,5R)-4-amino-3-hydroxy-5-methoxyoxolan-2-yl]ethane-1,2-diol
CID 122228900
sodium;(2S,3R,4R,5R)-2-[(1R)-1,2-dihydroxyethyl]-5-ethoxyoxolane-3,4-diol;hydride
CID 173327837
(2R,4S,5R)-2-[(3S,4R,6S)-4-[(2S,3S,5S)-5-[(1R)-1,2-dihydroxyethyl]-4-[(2R,4R,5S)-4-[(2S,3S,5S)-5-[(1R)-1,2-dihydroxyethyl]-3,4-dihydroxyoxolan-2-yl]oxy-3-hydroxy-6-(hydroxymethyl)-5-[(2R,4S,5R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3-hydroxyoxolan-2-yl]oxy-5-hydroxy-2-(hydroxymethyl)-6-methoxyoxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
CID 157456974
[(2R,3R,4S,5S,6R)-2-[(1S)-1,2-dihydroxyethyl]-3,5-dihydroxy-6-methoxyoxan-4-yl] dihydrogen phosphate
CID 100966696
(1S)-1-[(2R,3S,4R,5S)-5-ethoxy-3-hydroxy-4-methoxyoxolan-2-yl]ethane-1,2-diol
CID 70617572
[(2R)-2-hydroxy-2-[(2S,3S,4S,5S,6S)-3,4,5-trihydroxy-6-methoxyoxan-2-yl]ethyl]phosphonic acid
CID 10782771
(2S,3R,4S,5S)-5-[(1R)-1,2-dihydroxyethyl]-3-methoxyoxolane-2,4-diol
CID 102594810
(3S,4R,5R)-2-(2-deuterio-2-hydroxyethoxy)-5-[(1R)-1,2-dihydroxyethyl]oxolane-3,4-diol
CID 141346275
O-[(2S,3R,4R,5S)-5-[(1R)-1,2-dihydroxyethyl]-3,4-dihydroxyoxolan-2-yl] carbamothioate
CID 123505822
[(2S,3R,4R,5R)-5-[(1R)-1,2-dihydroxyethyl]-3,4-dihydroxyoxolan-2-yl] dihydrogen phosphate
CID 101460402
(2R,3R,4R,5R)-2-[(1R)-1,2-dihydroxyethyl]-5-octoxyoxolane-3,4-diol
CID 66988484

Frequently Asked Questions

What is the IUPAC name of (2R,3S,5S)-2-[(1S)-1,2-dihydroxyethyl]-5-methoxyoxolane-3,4-diol?
The IUPAC name of (2R,3S,5S)-2-[(1S)-1,2-dihydroxyethyl]-5-methoxyoxolane-3,4-diol (CID 130444434) is (2R,3S,5S)-2-[(1S)-1,2-dihydroxyethyl]-5-methoxyoxolane-3,4-diol.
What is the SMILES notation for (2R,3S,5S)-2-[(1S)-1,2-dihydroxyethyl]-5-methoxyoxolane-3,4-diol?
The canonical SMILES for (2R,3S,5S)-2-[(1S)-1,2-dihydroxyethyl]-5-methoxyoxolane-3,4-diol is CO[C@H]1O[C@H]([C@@H](O)CO)[C@@H](O)C1O.
What is the InChIKey of (2R,3S,5S)-2-[(1S)-1,2-dihydroxyethyl]-5-methoxyoxolane-3,4-diol?
The InChIKey is ZSQBOIUCEISYSW-OIEISSNZSA-N. The full InChI is InChI=1S/C7H14O6/c1-12-7-5(11)4(10)6(13-7)3(9)2-8/h3-11H,2H2,1H3/t3-,4-,5?,6+,7-/m0/s1.
What are the key properties of (2R,3S,5S)-2-[(1S)-1,2-dihydroxyethyl]-5-methoxyoxolane-3,4-diol?
(2R,3S,5S)-2-[(1S)-1,2-dihydroxyethyl]-5-methoxyoxolane-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 (2R,3S,5S)-2-[(1S)-1,2-dihydroxyethyl]-5-methoxyoxolane-3,4-diol is sourced from PubChem (CID 130444434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).