(3S,4S)-2-(hydroxymethyl)-6-methyloxane-3,4-diol

C7H14O4 — CID 89372248

IUPAC(3S,4S)-2-(hydroxymethyl)-6-methyloxane-3,4-diol
SMILESCC1C[C@H](O)[C@H](O)C(CO)O1
InChIInChI=1S/C7H14O4/c1-4-2-5(9)7(10)6(3-8)11-4/h4-10H,2-3H2,1H3/t4?,5-,6?,7-/m0/s1
InChIKeyJBIIMXADTDWATI-QVXSNWCSSA-N
MW162.18 g/mol
LogP-1.12
Rot. Bonds1

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

(3S,4S)-2-(hydroxymethyl)-6-methyloxane-3,4-diol (PubChem CID 89372248) has the molecular formula C7H14O4 and a molecular weight of 162.18 g/mol. Its IUPAC name is (3S,4S)-2-(hydroxymethyl)-6-methyloxane-3,4-diol.

Molecular Properties

Compound Name(3S,4S)-2-(hydroxymethyl)-6-methyloxane-3,4-diol
PubChem CID89372248
Molecular FormulaC7H14O4
Molecular Weight162.18 g/mol
Exact Mass162.09
IUPAC Name(3S,4S)-2-(hydroxymethyl)-6-methyloxane-3,4-diol
SMILESCC1C[C@H](O)[C@H](O)C(CO)O1
InChIInChI=1S/C7H14O4/c1-4-2-5(9)7(10)6(3-8)11-4/h4-10H,2-3H2,1H3/t4?,5-,6?,7-/m0/s1
InChIKeyJBIIMXADTDWATI-QVXSNWCSSA-N
XLogP-1.12
TPSA69.92 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.18
LogP ≤ 5-1.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(2S,3R,5R)-2-(hydroxymethyl)-5-methyloxolan-3-ol
CID 59795765
(2R)-2-(hydroxymethyl)-5-methyloxolan-3-ol
CID 88979913
CID 161264357
CID 161264357
(2S,3S,4R,6R)-2-(azidomethyl)-6-methyloxane-3,4-diol
CID 139575508
(2R,4R,5S,6R)-6-(hydroxymethyl)oxane-2,4,5-triol
CID 7057906
(2R,6R)-6-(hydroxymethyl)oxane-2,4,5-triol
CID 148934060
(5S,6R)-6-(hydroxymethyl)oxane-2,4,5-triol
CID 70641511
(3R,6R)-6-tert-butyl-2-(hydroxymethyl)oxane-3,4-diol
CID 58716425
(2R,3R,4R,6R)-6-methyloxane-2,3,4-triol
CID 131039389
(2R,3R,4S,6S)-6-methyloxane-2,3,4-triol
CID 26966621
(3S,4S,6R)-2-(hydroxymethyl)-6-methoxyoxane-3,4-diol
CID 58863017
(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

Frequently Asked Questions

What is the IUPAC name of (3S,4S)-2-(hydroxymethyl)-6-methyloxane-3,4-diol?
The IUPAC name of (3S,4S)-2-(hydroxymethyl)-6-methyloxane-3,4-diol (CID 89372248) is (3S,4S)-2-(hydroxymethyl)-6-methyloxane-3,4-diol.
What is the SMILES notation for (3S,4S)-2-(hydroxymethyl)-6-methyloxane-3,4-diol?
The canonical SMILES for (3S,4S)-2-(hydroxymethyl)-6-methyloxane-3,4-diol is CC1C[C@H](O)[C@H](O)C(CO)O1.
What is the InChIKey of (3S,4S)-2-(hydroxymethyl)-6-methyloxane-3,4-diol?
The InChIKey is JBIIMXADTDWATI-QVXSNWCSSA-N. The full InChI is InChI=1S/C7H14O4/c1-4-2-5(9)7(10)6(3-8)11-4/h4-10H,2-3H2,1H3/t4?,5-,6?,7-/m0/s1.
What are the key properties of (3S,4S)-2-(hydroxymethyl)-6-methyloxane-3,4-diol?
(3S,4S)-2-(hydroxymethyl)-6-methyloxane-3,4-diol has a molecular weight of 162.18 g/mol, XLogP of -1.12, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S)-2-(hydroxymethyl)-6-methyloxane-3,4-diol is sourced from PubChem (CID 89372248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).