(2S,3R,4R,5S)-2,5-dimethoxyoxolane-3,4-diol

C6H12O5 — CID 99945935

IUPAC(2S,3R,4R,5S)-2,5-dimethoxyoxolane-3,4-diol
SMILESCO[C@H]1O[C@H](OC)[C@H](O)[C@H]1O
InChIInChI=1S/C6H12O5/c1-9-5-3(7)4(8)6(10-2)11-5/h3-8H,1-2H3/t3-,4-,5+,6+/m1/s1
InChIKeyWNGXQPRWPICLEF-ZXXMMSQZSA-N
MW164.16 g/mol
LogP-1.32
Rot. Bonds2

About (2S,3R,4R,5S)-2,5-dimethoxyoxolane-3,4-diol

(2S,3R,4R,5S)-2,5-dimethoxyoxolane-3,4-diol (PubChem CID 99945935) has the molecular formula C6H12O5 and a molecular weight of 164.16 g/mol. Its IUPAC name is (2S,3R,4R,5S)-2,5-dimethoxyoxolane-3,4-diol.

Molecular Properties

Compound Name(2S,3R,4R,5S)-2,5-dimethoxyoxolane-3,4-diol
PubChem CID99945935
Molecular FormulaC6H12O5
Molecular Weight164.16 g/mol
Exact Mass164.07
IUPAC Name(2S,3R,4R,5S)-2,5-dimethoxyoxolane-3,4-diol
SMILESCO[C@H]1O[C@H](OC)[C@H](O)[C@H]1O
InChIInChI=1S/C6H12O5/c1-9-5-3(7)4(8)6(10-2)11-5/h3-8H,1-2H3/t3-,4-,5+,6+/m1/s1
InChIKeyWNGXQPRWPICLEF-ZXXMMSQZSA-N
XLogP-1.32
TPSA68.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.16
LogP ≤ 5-1.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-methoxyoxolane-2,3,4-triol
CID 122494930
(2R,3R,5S)-2-methoxy-6-methyloxane-3,4,5-triol
CID 155602482
(2S,3R,4R,5S,6R)-2-methoxy-6-methyloxane-3,4,5-triol
CID 12904923
(2R,5R)-2-methoxy-6-methyloxane-3,4,5-triol
CID 59892948
(2R,3R,4S,5S)-2-(hydroxymethyl)-5-methoxyoxolane-3,4-diol
CID 12889250
(2R,3S,4R)-2-(hydroxymethyl)-5-methoxyoxolane-3,4-diol
CID 11789546
(2S,3S,4S)-2-(hydroxymethyl)-5-methoxyoxolane-3,4-diol
CID 12042993
(2R,3S,4R,5S)-2-(hydroxymethyl)-5-methoxyoxolane-3,4-diol
CID 12889245
(6S)-2-(hydroxymethyl)-6-methoxyoxane-3,4,5-triol
CID 89221036
(3R,4R,6R)-2-ethyl-6-methoxyoxane-3,4,5-triol
CID 58503038
2-ethyl-6-methoxyoxane-3,4,5-triol
CID 21334747
(2S,3S,4R,5R)-3,4-dihydroxy-5-methoxyoxolane-2-carboxylic acid
CID 130754854

Frequently Asked Questions

What is the IUPAC name of (2S,3R,4R,5S)-2,5-dimethoxyoxolane-3,4-diol?
The IUPAC name of (2S,3R,4R,5S)-2,5-dimethoxyoxolane-3,4-diol (CID 99945935) is (2S,3R,4R,5S)-2,5-dimethoxyoxolane-3,4-diol.
What is the SMILES notation for (2S,3R,4R,5S)-2,5-dimethoxyoxolane-3,4-diol?
The canonical SMILES for (2S,3R,4R,5S)-2,5-dimethoxyoxolane-3,4-diol is CO[C@H]1O[C@H](OC)[C@H](O)[C@H]1O.
What is the InChIKey of (2S,3R,4R,5S)-2,5-dimethoxyoxolane-3,4-diol?
The InChIKey is WNGXQPRWPICLEF-ZXXMMSQZSA-N. The full InChI is InChI=1S/C6H12O5/c1-9-5-3(7)4(8)6(10-2)11-5/h3-8H,1-2H3/t3-,4-,5+,6+/m1/s1.
What are the key properties of (2S,3R,4R,5S)-2,5-dimethoxyoxolane-3,4-diol?
(2S,3R,4R,5S)-2,5-dimethoxyoxolane-3,4-diol has a molecular weight of 164.16 g/mol, XLogP of -1.32, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R,4R,5S)-2,5-dimethoxyoxolane-3,4-diol is sourced from PubChem (CID 99945935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).