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

C7H14O5 — CID 100984386

IUPAC(2S,3R,4S,5R)-2,4-dimethoxyoxane-3,5-diol
SMILESCO[C@H]1OC[C@@H](O)[C@H](OC)[C@H]1O
InChIInChI=1S/C7H14O5/c1-10-6-4(8)3-12-7(11-2)5(6)9/h4-9H,3H2,1-2H3/t4-,5-,6+,7+/m1/s1
InChIKeyNUIHLOWUOZWYRB-JWXFUTCRSA-N
MW178.18 g/mol
LogP-1.27
Rot. Bonds2

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

(2S,3R,4S,5R)-2,4-dimethoxyoxane-3,5-diol (PubChem CID 100984386) has the molecular formula C7H14O5 and a molecular weight of 178.18 g/mol. Its IUPAC name is (2S,3R,4S,5R)-2,4-dimethoxyoxane-3,5-diol.

Molecular Properties

Compound Name(2S,3R,4S,5R)-2,4-dimethoxyoxane-3,5-diol
PubChem CID100984386
Molecular FormulaC7H14O5
Molecular Weight178.18 g/mol
Exact Mass178.08
IUPAC Name(2S,3R,4S,5R)-2,4-dimethoxyoxane-3,5-diol
SMILESCO[C@H]1OC[C@@H](O)[C@H](OC)[C@H]1O
InChIInChI=1S/C7H14O5/c1-10-6-4(8)3-12-7(11-2)5(6)9/h4-9H,3H2,1-2H3/t4-,5-,6+,7+/m1/s1
InChIKeyNUIHLOWUOZWYRB-JWXFUTCRSA-N
XLogP-1.27
TPSA68.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.18
LogP ≤ 5-1.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2R,3S,4S)-2-methoxyoxolane-3,4-diol
CID 130831872
(2R,3R,4S)-2-methoxyoxolane-3,4-diol
CID 14443636
(2S,4R,5R)-2-methoxyoxane-3,4,5-triol
CID 24802344
[(2S,3S,4S,5R)-3,5-dihydroxy-2-methoxyoxan-4-yl] acetate
CID 102251070
(2R,3S,4R,5S)-4-methoxy-2-methyloxane-3,5-diol
CID 130831748
(2S,3R,4S,5R,6R)-2-[(2R,3R,4S,5R)-3,5-dihydroxy-2-methoxyoxan-4-yl]oxy-6-methyloxane-3,4,5-triol
CID 10924935
2-(hydroxymethyl)-4-methoxyoxane-3,5-diol
CID 19699733
(2R,3R,4R,5S)-2-(hydroxymethyl)-4-methoxyoxane-3,5-diol
CID 18645218
(2R,5S)-2-[(2R,5S)-3,5-dihydroxy-2-methoxyoxan-4-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
CID 70971830
(2S,3S,4S,5S,6R)-2,6-dimethoxyoxepane-3,4,5-triol
CID 58510378
(2R,3R,4R,5S)-4-methoxy-2-(methoxymethyl)oxane-3,5-diol
CID 54140471
(2S,4R,5R)-5-[(2S,4S,5R)-3,5-dihydroxy-4-methoxyoxan-2-yl]oxy-2-methyloxane-2,3,4-triol
CID 163627275

Frequently Asked Questions

What is the IUPAC name of (2S,3R,4S,5R)-2,4-dimethoxyoxane-3,5-diol?
The IUPAC name of (2S,3R,4S,5R)-2,4-dimethoxyoxane-3,5-diol (CID 100984386) is (2S,3R,4S,5R)-2,4-dimethoxyoxane-3,5-diol.
What is the SMILES notation for (2S,3R,4S,5R)-2,4-dimethoxyoxane-3,5-diol?
The canonical SMILES for (2S,3R,4S,5R)-2,4-dimethoxyoxane-3,5-diol is CO[C@H]1OC[C@@H](O)[C@H](OC)[C@H]1O.
What is the InChIKey of (2S,3R,4S,5R)-2,4-dimethoxyoxane-3,5-diol?
The InChIKey is NUIHLOWUOZWYRB-JWXFUTCRSA-N. The full InChI is InChI=1S/C7H14O5/c1-10-6-4(8)3-12-7(11-2)5(6)9/h4-9H,3H2,1-2H3/t4-,5-,6+,7+/m1/s1.
What are the key properties of (2S,3R,4S,5R)-2,4-dimethoxyoxane-3,5-diol?
(2S,3R,4S,5R)-2,4-dimethoxyoxane-3,5-diol has a molecular weight of 178.18 g/mol, XLogP of -1.27, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R,4S,5R)-2,4-dimethoxyoxane-3,5-diol is sourced from PubChem (CID 100984386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).