(2R,3S)-2-(hydroxymethyl)-5-methoxyoxolan-3-ol

C6H12O4 — CID 10154128

IUPAC(2R,3S)-2-(hydroxymethyl)-5-methoxyoxolan-3-ol
SMILESCOC1C[C@H](O)[C@@H](CO)O1
InChIInChI=1S/C6H12O4/c1-9-6-2-4(8)5(3-7)10-6/h4-8H,2-3H2,1H3/t4-,5+,6?/m0/s1
InChIKeyNVGJZDFWPSOTHM-YRZWDFBDSA-N
MW148.16 g/mol
LogP-0.90
Rot. Bonds2

About (2R,3S)-2-(hydroxymethyl)-5-methoxyoxolan-3-ol

(2R,3S)-2-(hydroxymethyl)-5-methoxyoxolan-3-ol (PubChem CID 10154128) has the molecular formula C6H12O4 and a molecular weight of 148.16 g/mol. Its IUPAC name is (2R,3S)-2-(hydroxymethyl)-5-methoxyoxolan-3-ol.

Molecular Properties

Compound Name(2R,3S)-2-(hydroxymethyl)-5-methoxyoxolan-3-ol
PubChem CID10154128
Molecular FormulaC6H12O4
Molecular Weight148.16 g/mol
Exact Mass148.07
IUPAC Name(2R,3S)-2-(hydroxymethyl)-5-methoxyoxolan-3-ol
SMILESCOC1C[C@H](O)[C@@H](CO)O1
InChIInChI=1S/C6H12O4/c1-9-6-2-4(8)5(3-7)10-6/h4-8H,2-3H2,1H3/t4-,5+,6?/m0/s1
InChIKeyNVGJZDFWPSOTHM-YRZWDFBDSA-N
XLogP-0.90
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.16
LogP ≤ 5-0.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2R,3S)-2-(hydroxymethyl)-5-methoxyoxolan-3-ol?
The IUPAC name of (2R,3S)-2-(hydroxymethyl)-5-methoxyoxolan-3-ol (CID 10154128) is (2R,3S)-2-(hydroxymethyl)-5-methoxyoxolan-3-ol.
What is the SMILES notation for (2R,3S)-2-(hydroxymethyl)-5-methoxyoxolan-3-ol?
The canonical SMILES for (2R,3S)-2-(hydroxymethyl)-5-methoxyoxolan-3-ol is COC1C[C@H](O)[C@@H](CO)O1.
What is the InChIKey of (2R,3S)-2-(hydroxymethyl)-5-methoxyoxolan-3-ol?
The InChIKey is NVGJZDFWPSOTHM-YRZWDFBDSA-N. The full InChI is InChI=1S/C6H12O4/c1-9-6-2-4(8)5(3-7)10-6/h4-8H,2-3H2,1H3/t4-,5+,6?/m0/s1.
What are the key properties of (2R,3S)-2-(hydroxymethyl)-5-methoxyoxolan-3-ol?
(2R,3S)-2-(hydroxymethyl)-5-methoxyoxolan-3-ol has a molecular weight of 148.16 g/mol, XLogP of -0.90, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-2-(hydroxymethyl)-5-methoxyoxolan-3-ol is sourced from PubChem (CID 10154128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).