(3S,4S,6R)-2-(hydroxymethyl)-6-methoxyoxane-3,4-diol

C7H14O5 — CID 58863017

IUPAC(3S,4S,6R)-2-(hydroxymethyl)-6-methoxyoxane-3,4-diol
SMILESCO[C@H]1C[C@H](O)[C@H](O)C(CO)O1
InChIInChI=1S/C7H14O5/c1-11-6-2-4(9)7(10)5(3-8)12-6/h4-10H,2-3H2,1H3/t4-,5?,6+,7-/m0/s1
InChIKeyUGCAWWFSBIEYGD-LFNCRRRLSA-N
MW178.18 g/mol
LogP-1.54
Rot. Bonds2

About (3S,4S,6R)-2-(hydroxymethyl)-6-methoxyoxane-3,4-diol

(3S,4S,6R)-2-(hydroxymethyl)-6-methoxyoxane-3,4-diol (PubChem CID 58863017) has the molecular formula C7H14O5 and a molecular weight of 178.18 g/mol. Its IUPAC name is (3S,4S,6R)-2-(hydroxymethyl)-6-methoxyoxane-3,4-diol.

Molecular Properties

Compound Name(3S,4S,6R)-2-(hydroxymethyl)-6-methoxyoxane-3,4-diol
PubChem CID58863017
Molecular FormulaC7H14O5
Molecular Weight178.18 g/mol
Exact Mass178.08
IUPAC Name(3S,4S,6R)-2-(hydroxymethyl)-6-methoxyoxane-3,4-diol
SMILESCO[C@H]1C[C@H](O)[C@H](O)C(CO)O1
InChIInChI=1S/C7H14O5/c1-11-6-2-4(9)7(10)5(3-8)12-6/h4-10H,2-3H2,1H3/t4-,5?,6+,7-/m0/s1
InChIKeyUGCAWWFSBIEYGD-LFNCRRRLSA-N
XLogP-1.54
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 ≤ 5-1.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze (3S,4S,6R)-2-(hydroxymethyl)-6-methoxyoxane-3,4-diol 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,6R)-2-(hydroxymethyl)-6-methoxy-4-methyloxan-3-ol
CID 147159840
(2R,3S,4R,6S)-6-[(2S,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-(hydroxymethyl)oxane-3,4-diol
CID 123765086
(2R,3S,4R)-6-[(2S,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-(hydroxymethyl)oxane-3,4-diol
CID 146216338
(2R,3S,4S,6R)-4-amino-2-(hydroxymethyl)-6-methoxyoxan-3-ol
CID 101213887
(2R,3S,4R,6R)-4-amino-2-(hydroxymethyl)-6-methoxyoxan-3-ol
CID 101213890
(2R,4R)-6-aminooxy-2-(hydroxymethyl)oxane-3,4-diol
CID 176683102
[(2R,3S,4R,6S)-4-hydroxy-2-(hydroxymethyl)-6-methoxyoxan-3-yl] hypoiodite
CID 142600377
[(4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl] acetate
CID 44608559
2-(hydroxymethyl)-6-propoxyoxane-3,4-diol
CID 154980808
[(2S,3R,5R)-2-(hydroxymethyl)-5-methoxyoxolan-3-yl]methanol
CID 70296573
N-[(2R,3S,4S,6S)-3-hydroxy-2-(hydroxymethyl)-6-methoxyoxan-4-yl]acetamide
CID 101213894
(2R,3S,4R,6S)-6-butan-2-yloxy-2-(hydroxymethyl)oxane-3,4-diol
CID 102217415

Frequently Asked Questions

What is the IUPAC name of (3S,4S,6R)-2-(hydroxymethyl)-6-methoxyoxane-3,4-diol?
The IUPAC name of (3S,4S,6R)-2-(hydroxymethyl)-6-methoxyoxane-3,4-diol (CID 58863017) is (3S,4S,6R)-2-(hydroxymethyl)-6-methoxyoxane-3,4-diol.
What is the SMILES notation for (3S,4S,6R)-2-(hydroxymethyl)-6-methoxyoxane-3,4-diol?
The canonical SMILES for (3S,4S,6R)-2-(hydroxymethyl)-6-methoxyoxane-3,4-diol is CO[C@H]1C[C@H](O)[C@H](O)C(CO)O1.
What is the InChIKey of (3S,4S,6R)-2-(hydroxymethyl)-6-methoxyoxane-3,4-diol?
The InChIKey is UGCAWWFSBIEYGD-LFNCRRRLSA-N. The full InChI is InChI=1S/C7H14O5/c1-11-6-2-4(9)7(10)5(3-8)12-6/h4-10H,2-3H2,1H3/t4-,5?,6+,7-/m0/s1.
What are the key properties of (3S,4S,6R)-2-(hydroxymethyl)-6-methoxyoxane-3,4-diol?
(3S,4S,6R)-2-(hydroxymethyl)-6-methoxyoxane-3,4-diol has a molecular weight of 178.18 g/mol, XLogP of -1.54, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S,6R)-2-(hydroxymethyl)-6-methoxyoxane-3,4-diol is sourced from PubChem (CID 58863017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).