(4R,5S)-4,5-bis(hydroxymethyl)-2-methyloxolan-3-ol

C7H14O4 — CID 88976527

IUPAC(4R,5S)-4,5-bis(hydroxymethyl)-2-methyloxolan-3-ol
SMILESCC1O[C@H](CO)[C@H](CO)C1O
InChIInChI=1S/C7H14O4/c1-4-7(10)5(2-8)6(3-9)11-4/h4-10H,2-3H2,1H3/t4?,5-,6+,7?/m0/s1
InChIKeyYLAPXFODKMMOGB-BJBIKLFWSA-N
MW162.18 g/mol
LogP-1.26
Rot. Bonds2

About (4R,5S)-4,5-bis(hydroxymethyl)-2-methyloxolan-3-ol

(4R,5S)-4,5-bis(hydroxymethyl)-2-methyloxolan-3-ol (PubChem CID 88976527) has the molecular formula C7H14O4 and a molecular weight of 162.18 g/mol. Its IUPAC name is (4R,5S)-4,5-bis(hydroxymethyl)-2-methyloxolan-3-ol.

Molecular Properties

Compound Name(4R,5S)-4,5-bis(hydroxymethyl)-2-methyloxolan-3-ol
PubChem CID88976527
Molecular FormulaC7H14O4
Molecular Weight162.18 g/mol
Exact Mass162.09
IUPAC Name(4R,5S)-4,5-bis(hydroxymethyl)-2-methyloxolan-3-ol
SMILESCC1O[C@H](CO)[C@H](CO)C1O
InChIInChI=1S/C7H14O4/c1-4-7(10)5(2-8)6(3-9)11-4/h4-10H,2-3H2,1H3/t4?,5-,6+,7?/m0/s1
InChIKeyYLAPXFODKMMOGB-BJBIKLFWSA-N
XLogP-1.26
TPSA69.92 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.18
LogP ≤ 5-1.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(5S)-5-(hydroxymethyl)-2-methyl-4-(2-sulfanylethyl)oxolan-3-ol
CID 118011916
(2S,3R,4S,5R)-2-(hydroxymethyl)-5-methyloxolane-3,4-diol
CID 59795634
(3S,4R)-2-(hydroxymethyl)-5-methyloxolane-3,4-diol
CID 59039787
(3S,4S)-2-(hydroxymethyl)-5-methyloxolane-3,4-diol
CID 146299921
(2R,4R,5R)-2-(hydroxymethyl)-5-methyloxolane-3,4-diol
CID 157377669
(3R,4R,6R)-2-(hydroxymethyl)-6-methyloxane-3,4,5-triol
CID 67472419
(3R,4S,6S)-2-(hydroxymethyl)-6-methyloxane-3,4,5-triol
CID 89126966
(2R,3R,4R,5R,6R)-2-(hydroxymethyl)-6-methyloxane-3,4,5-triol
CID 59116084
(4R,5R)-2-(hydroxymethyl)-6-methyloxane-3,4,5-triol
CID 143617458
(2R,3R,4S,5R,6R)-2-(hydroxymethyl)-6-methyloxane-3,4,5-triol
CID 118332787
(2R,5R)-6-(hydroxymethyl)-2,4,5-trimethyloxan-3-ol
CID 168899706
actinium;(3R,6S)-2-(hydroxymethyl)-6-methyloxane-3,4,5-triol
CID 59934625

Frequently Asked Questions

What is the IUPAC name of (4R,5S)-4,5-bis(hydroxymethyl)-2-methyloxolan-3-ol?
The IUPAC name of (4R,5S)-4,5-bis(hydroxymethyl)-2-methyloxolan-3-ol (CID 88976527) is (4R,5S)-4,5-bis(hydroxymethyl)-2-methyloxolan-3-ol.
What is the SMILES notation for (4R,5S)-4,5-bis(hydroxymethyl)-2-methyloxolan-3-ol?
The canonical SMILES for (4R,5S)-4,5-bis(hydroxymethyl)-2-methyloxolan-3-ol is CC1O[C@H](CO)[C@H](CO)C1O.
What is the InChIKey of (4R,5S)-4,5-bis(hydroxymethyl)-2-methyloxolan-3-ol?
The InChIKey is YLAPXFODKMMOGB-BJBIKLFWSA-N. The full InChI is InChI=1S/C7H14O4/c1-4-7(10)5(2-8)6(3-9)11-4/h4-10H,2-3H2,1H3/t4?,5-,6+,7?/m0/s1.
What are the key properties of (4R,5S)-4,5-bis(hydroxymethyl)-2-methyloxolan-3-ol?
(4R,5S)-4,5-bis(hydroxymethyl)-2-methyloxolan-3-ol has a molecular weight of 162.18 g/mol, XLogP of -1.26, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5S)-4,5-bis(hydroxymethyl)-2-methyloxolan-3-ol is sourced from PubChem (CID 88976527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).