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

C7H14O5 — CID 14564498

IUPAC(2R,3R,4S,5S)-3,5-dimethoxyoxane-2,4-diol
SMILESCO[C@@H]1[C@@H](O)[C@@H](OC)CO[C@H]1O
InChIInChI=1S/C7H14O5/c1-10-4-3-12-7(9)6(11-2)5(4)8/h4-9H,3H2,1-2H3/t4-,5-,6+,7+/m0/s1
InChIKeyHZLKARALBVQSKO-VWDOSNQTSA-N
MW178.18 g/mol
LogP-1.27
Rot. Bonds2

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

(2R,3R,4S,5S)-3,5-dimethoxyoxane-2,4-diol (PubChem CID 14564498) has the molecular formula C7H14O5 and a molecular weight of 178.18 g/mol. Its IUPAC name is (2R,3R,4S,5S)-3,5-dimethoxyoxane-2,4-diol.

Molecular Properties

Compound Name(2R,3R,4S,5S)-3,5-dimethoxyoxane-2,4-diol
PubChem CID14564498
Molecular FormulaC7H14O5
Molecular Weight178.18 g/mol
Exact Mass178.08
IUPAC Name(2R,3R,4S,5S)-3,5-dimethoxyoxane-2,4-diol
SMILESCO[C@@H]1[C@@H](O)[C@@H](OC)CO[C@H]1O
InChIInChI=1S/C7H14O5/c1-10-4-3-12-7(9)6(11-2)5(4)8/h4-9H,3H2,1-2H3/t4-,5-,6+,7+/m0/s1
InChIKeyHZLKARALBVQSKO-VWDOSNQTSA-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

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

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Related Compounds

5-methoxyoxane-2,3,4-triol
CID 560177
CID 89141546
CID 89141546
(2S,3S,4S,5S,6R)-2,6-dimethoxyoxepane-3,4,5-triol
CID 58510378
(2S,3S,4R,5R)-5-methoxy-2-propan-2-yloxane-3,4-diol
CID 130359987
(2S,3R,4R,5S,6S)-6-[(3R,4S,5R)-2-hydroxy-3,5-dimethoxyoxan-4-yl]oxy-4,5-dimethoxy-2-methyloxan-3-ol
CID 91849807
(3R,4R,5S)-4-[(2S,3R,4S,5R)-4-hydroxy-3,5-dimethoxyoxan-2-yl]oxy-5-(hydroxymethyl)oxolane-2,3-diol
CID 91845536
[(3S,4S,5R,6R)-5-acetyloxy-4,6-dihydroxyoxan-3-yl] acetate
CID 91848771
[(3R,4S,5R)-5-acetyloxy-4,6-dihydroxyoxan-3-yl] acetate
CID 91847015
(2R,3R,4S,5S)-4,5-dimethoxy-2-(methoxymethyl)oxan-3-ol
CID 10943643
(1S,2S,4S,5S)-6-methoxycyclohexane-1,2,3,4,5-pentol
CID 7020271
(3R,3aR,6R,6aS)-3,6-dimethoxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan
CID 7168228
(3S,3aS,6R,6aR)-3,6-dimethoxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan
CID 13002871

Frequently Asked Questions

What is the IUPAC name of (2R,3R,4S,5S)-3,5-dimethoxyoxane-2,4-diol?
The IUPAC name of (2R,3R,4S,5S)-3,5-dimethoxyoxane-2,4-diol (CID 14564498) is (2R,3R,4S,5S)-3,5-dimethoxyoxane-2,4-diol.
What is the SMILES notation for (2R,3R,4S,5S)-3,5-dimethoxyoxane-2,4-diol?
The canonical SMILES for (2R,3R,4S,5S)-3,5-dimethoxyoxane-2,4-diol is CO[C@@H]1[C@@H](O)[C@@H](OC)CO[C@H]1O.
What is the InChIKey of (2R,3R,4S,5S)-3,5-dimethoxyoxane-2,4-diol?
The InChIKey is HZLKARALBVQSKO-VWDOSNQTSA-N. The full InChI is InChI=1S/C7H14O5/c1-10-4-3-12-7(9)6(11-2)5(4)8/h4-9H,3H2,1-2H3/t4-,5-,6+,7+/m0/s1.
What are the key properties of (2R,3R,4S,5S)-3,5-dimethoxyoxane-2,4-diol?
(2R,3R,4S,5S)-3,5-dimethoxyoxane-2,4-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 (2R,3R,4S,5S)-3,5-dimethoxyoxane-2,4-diol is sourced from PubChem (CID 14564498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).