(2S)-6-(hydroxymethyl)oxane-2,4-diol

C6H12O4 — CID 147942620

IUPAC(2S)-6-(hydroxymethyl)oxane-2,4-diol
SMILESOCC1CC(O)C[C@@H](O)O1
InChIInChI=1S/C6H12O4/c7-3-5-1-4(8)2-6(9)10-5/h4-9H,1-3H2/t4?,5?,6-/m0/s1
InChIKeyIMAXLNCKOJCLPF-WRVKLSGPSA-N
MW148.16 g/mol
LogP-1.16
Rot. Bonds1

About (2S)-6-(hydroxymethyl)oxane-2,4-diol

(2S)-6-(hydroxymethyl)oxane-2,4-diol (PubChem CID 147942620) has the molecular formula C6H12O4 and a molecular weight of 148.16 g/mol. Its IUPAC name is (2S)-6-(hydroxymethyl)oxane-2,4-diol.

Molecular Properties

Compound Name(2S)-6-(hydroxymethyl)oxane-2,4-diol
PubChem CID147942620
Molecular FormulaC6H12O4
Molecular Weight148.16 g/mol
Exact Mass148.07
IUPAC Name(2S)-6-(hydroxymethyl)oxane-2,4-diol
SMILESOCC1CC(O)C[C@@H](O)O1
InChIInChI=1S/C6H12O4/c7-3-5-1-4(8)2-6(9)10-5/h4-9H,1-3H2/t4?,5?,6-/m0/s1
InChIKeyIMAXLNCKOJCLPF-WRVKLSGPSA-N
XLogP-1.16
TPSA69.92 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.16
LogP ≤ 5-1.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(4S)-7-(hydroxymethyl)oxepane-2,4,5-triol
CID 163289126
2-(4,6-dihydroxyoxan-2-yl)acetic acid
CID 77213241
2-(hydroxymethyl)-6-sulfanyloxyoxan-4-ol
CID 177228872
2-(hydroxymethyl)-6-methoxyoxan-4-ol
CID 14831299
ethanamine;ethene;(2S,4R)-2-(hydroxymethyl)-6-methyloxan-4-ol
CID 142157408
(3R,5S)-5-(hydroxymethyl)oxolan-3-ol
CID 5289103
4-ethyloxetan-2-ol
CID 151879220
(2R,3R,4S)-2-[(2R,4S)-2-hydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-6-(hydroxymethyl)oxane-3,4-diol
CID 167113171
oxetane-2,4-diol
CID 20682895
CID 89009829
CID 89009829
(3S,5S)-3-fluoro-5-(hydroxymethyl)oxolan-2-ol
CID 54034612
(2S,6R)-2-(hydroxymethyl)-6-pentoxyoxan-4-ol
CID 146246874

Frequently Asked Questions

What is the IUPAC name of (2S)-6-(hydroxymethyl)oxane-2,4-diol?
The IUPAC name of (2S)-6-(hydroxymethyl)oxane-2,4-diol (CID 147942620) is (2S)-6-(hydroxymethyl)oxane-2,4-diol.
What is the SMILES notation for (2S)-6-(hydroxymethyl)oxane-2,4-diol?
The canonical SMILES for (2S)-6-(hydroxymethyl)oxane-2,4-diol is OCC1CC(O)C[C@@H](O)O1.
What is the InChIKey of (2S)-6-(hydroxymethyl)oxane-2,4-diol?
The InChIKey is IMAXLNCKOJCLPF-WRVKLSGPSA-N. The full InChI is InChI=1S/C6H12O4/c7-3-5-1-4(8)2-6(9)10-5/h4-9H,1-3H2/t4?,5?,6-/m0/s1.
What are the key properties of (2S)-6-(hydroxymethyl)oxane-2,4-diol?
(2S)-6-(hydroxymethyl)oxane-2,4-diol has a molecular weight of 148.16 g/mol, XLogP of -1.16, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-6-(hydroxymethyl)oxane-2,4-diol is sourced from PubChem (CID 147942620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).