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

C7H14O6 — CID 12897792

IUPAC(2S,3R,4R,5R)-2-[(1R)-1,2-dihydroxyethyl]-5-methoxyoxolane-3,4-diol
SMILESCO[C@@H]1O[C@@H]([C@H](O)CO)[C@H](O)[C@H]1O
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-/m1/s1
InChIKeyZSQBOIUCEISYSW-BNWJMWRWSA-N
MW194.18 g/mol
LogP-2.57
Rot. Bonds3

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

(2S,3R,4R,5R)-2-[(1R)-1,2-dihydroxyethyl]-5-methoxyoxolane-3,4-diol (PubChem CID 12897792) has the molecular formula C7H14O6 and a molecular weight of 194.18 g/mol. Its IUPAC name is (2S,3R,4R,5R)-2-[(1R)-1,2-dihydroxyethyl]-5-methoxyoxolane-3,4-diol.

Molecular Properties

Compound Name(2S,3R,4R,5R)-2-[(1R)-1,2-dihydroxyethyl]-5-methoxyoxolane-3,4-diol
PubChem CID12897792
Molecular FormulaC7H14O6
Molecular Weight194.18 g/mol
Exact Mass194.08
IUPAC Name(2S,3R,4R,5R)-2-[(1R)-1,2-dihydroxyethyl]-5-methoxyoxolane-3,4-diol
SMILESCO[C@@H]1O[C@@H]([C@H](O)CO)[C@H](O)[C@H]1O
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-/m1/s1
InChIKeyZSQBOIUCEISYSW-BNWJMWRWSA-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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Frequently Asked Questions

What is the IUPAC name of (2S,3R,4R,5R)-2-[(1R)-1,2-dihydroxyethyl]-5-methoxyoxolane-3,4-diol?
The IUPAC name of (2S,3R,4R,5R)-2-[(1R)-1,2-dihydroxyethyl]-5-methoxyoxolane-3,4-diol (CID 12897792) is (2S,3R,4R,5R)-2-[(1R)-1,2-dihydroxyethyl]-5-methoxyoxolane-3,4-diol.
What is the SMILES notation for (2S,3R,4R,5R)-2-[(1R)-1,2-dihydroxyethyl]-5-methoxyoxolane-3,4-diol?
The canonical SMILES for (2S,3R,4R,5R)-2-[(1R)-1,2-dihydroxyethyl]-5-methoxyoxolane-3,4-diol is CO[C@@H]1O[C@@H]([C@H](O)CO)[C@H](O)[C@H]1O.
What is the InChIKey of (2S,3R,4R,5R)-2-[(1R)-1,2-dihydroxyethyl]-5-methoxyoxolane-3,4-diol?
The InChIKey is ZSQBOIUCEISYSW-BNWJMWRWSA-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-/m1/s1.
What are the key properties of (2S,3R,4R,5R)-2-[(1R)-1,2-dihydroxyethyl]-5-methoxyoxolane-3,4-diol?
(2S,3R,4R,5R)-2-[(1R)-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 (2S,3R,4R,5R)-2-[(1R)-1,2-dihydroxyethyl]-5-methoxyoxolane-3,4-diol is sourced from PubChem (CID 12897792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).