(2R,3S,4R,5R)-2-(methoxymethyl)oxane-3,4,5-triol

C7H14O5 — CID 54109760

IUPAC(2R,3S,4R,5R)-2-(methoxymethyl)oxane-3,4,5-triol
SMILESCOC[C@H]1OC[C@@H](O)[C@@H](O)[C@@H]1O
InChIInChI=1S/C7H14O5/c1-11-3-5-7(10)6(9)4(8)2-12-5/h4-10H,2-3H2,1H3/t4-,5-,6-,7-/m1/s1
InChIKeyGETAKJPZTDVYDM-DBRKOABJSA-N
MW178.18 g/mol
LogP-1.89
Rot. Bonds2

About (2R,3S,4R,5R)-2-(methoxymethyl)oxane-3,4,5-triol

(2R,3S,4R,5R)-2-(methoxymethyl)oxane-3,4,5-triol (PubChem CID 54109760) has the molecular formula C7H14O5 and a molecular weight of 178.18 g/mol. Its IUPAC name is (2R,3S,4R,5R)-2-(methoxymethyl)oxane-3,4,5-triol.

Molecular Properties

Compound Name(2R,3S,4R,5R)-2-(methoxymethyl)oxane-3,4,5-triol
PubChem CID54109760
Molecular FormulaC7H14O5
Molecular Weight178.18 g/mol
Exact Mass178.08
IUPAC Name(2R,3S,4R,5R)-2-(methoxymethyl)oxane-3,4,5-triol
SMILESCOC[C@H]1OC[C@@H](O)[C@@H](O)[C@@H]1O
InChIInChI=1S/C7H14O5/c1-11-3-5-7(10)6(9)4(8)2-12-5/h4-10H,2-3H2,1H3/t4-,5-,6-,7-/m1/s1
InChIKeyGETAKJPZTDVYDM-DBRKOABJSA-N
XLogP-1.89
TPSA79.15 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.18
LogP ≤ 5-1.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze (2R,3S,4R,5R)-2-(methoxymethyl)oxane-3,4,5-triol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R,3R,4R,5S)-4-methoxy-2-(methoxymethyl)oxane-3,5-diol
CID 54140471
(2R,3R,4S,5S)-4,5-dimethoxy-2-(methoxymethyl)oxan-3-ol
CID 10943643
(2S,3R,4S,5S)-2-ethyloxane-3,4,5-triol
CID 134180059
(2R,4R,5S)-2-ethyloxane-3,4,5-triol
CID 121360500
1-[(3R,5R)-3,4,5-trihydroxyoxan-2-yl]propan-2-one
CID 129131488
[(2R,3R,4S)-3,4-dihydroxyoxolan-2-yl]methyl acetate
CID 130353302
[(2R,3R,4R)-3,4-dihydroxyoxolan-2-yl]methyl acetate
CID 21336535
(2S,3R,4R,5R)-2-(hydroxymethyl)oxane-3,4,5-triol
CID 6102335
(3R,4R)-2-(hydroxymethyl)oxane-3,4,5-triol
CID 59922885
(2S,3R,4R,5S)-2-(chloromethyl)oxane-3,4,5-triol
CID 18632305
(2R,3S,4S)-2-(2-methylbutan-2-yloxymethyl)oxolane-3,4-diol
CID 71098630
(2S,3R,4S,5R)-2-(2-methylpropyl)oxane-3,4,5-triol
CID 70507894

Frequently Asked Questions

What is the IUPAC name of (2R,3S,4R,5R)-2-(methoxymethyl)oxane-3,4,5-triol?
The IUPAC name of (2R,3S,4R,5R)-2-(methoxymethyl)oxane-3,4,5-triol (CID 54109760) is (2R,3S,4R,5R)-2-(methoxymethyl)oxane-3,4,5-triol.
What is the SMILES notation for (2R,3S,4R,5R)-2-(methoxymethyl)oxane-3,4,5-triol?
The canonical SMILES for (2R,3S,4R,5R)-2-(methoxymethyl)oxane-3,4,5-triol is COC[C@H]1OC[C@@H](O)[C@@H](O)[C@@H]1O.
What is the InChIKey of (2R,3S,4R,5R)-2-(methoxymethyl)oxane-3,4,5-triol?
The InChIKey is GETAKJPZTDVYDM-DBRKOABJSA-N. The full InChI is InChI=1S/C7H14O5/c1-11-3-5-7(10)6(9)4(8)2-12-5/h4-10H,2-3H2,1H3/t4-,5-,6-,7-/m1/s1.
What are the key properties of (2R,3S,4R,5R)-2-(methoxymethyl)oxane-3,4,5-triol?
(2R,3S,4R,5R)-2-(methoxymethyl)oxane-3,4,5-triol has a molecular weight of 178.18 g/mol, XLogP of -1.89, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,4R,5R)-2-(methoxymethyl)oxane-3,4,5-triol is sourced from PubChem (CID 54109760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).