(2R,3S)-2-(hydroxymethyl)-3,4-dihydro-2H-pyran-3-ol

C6H10O3 — CID 12775331

IUPAC(2R,3S)-2-(hydroxymethyl)-3,4-dihydro-2H-pyran-3-ol
SMILESOC[C@H]1OC=CC[C@@H]1O
InChIInChI=1S/C6H10O3/c7-4-6-5(8)2-1-3-9-6/h1,3,5-8H,2,4H2/t5-,6+/m0/s1
InChIKeyBLJKPOLGWISUIM-NTSWFWBYSA-N
MW130.14 g/mol
LogP-0.36
Rot. Bonds1

About (2R,3S)-2-(hydroxymethyl)-3,4-dihydro-2H-pyran-3-ol

(2R,3S)-2-(hydroxymethyl)-3,4-dihydro-2H-pyran-3-ol (PubChem CID 12775331) has the molecular formula C6H10O3 and a molecular weight of 130.14 g/mol. Its IUPAC name is (2R,3S)-2-(hydroxymethyl)-3,4-dihydro-2H-pyran-3-ol.

Molecular Properties

Compound Name(2R,3S)-2-(hydroxymethyl)-3,4-dihydro-2H-pyran-3-ol
PubChem CID12775331
Molecular FormulaC6H10O3
Molecular Weight130.14 g/mol
Exact Mass130.06
IUPAC Name(2R,3S)-2-(hydroxymethyl)-3,4-dihydro-2H-pyran-3-ol
SMILESOC[C@H]1OC=CC[C@@H]1O
InChIInChI=1S/C6H10O3/c7-4-6-5(8)2-1-3-9-6/h1,3,5-8H,2,4H2/t5-,6+/m0/s1
InChIKeyBLJKPOLGWISUIM-NTSWFWBYSA-N
XLogP-0.36
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.14
LogP ≤ 5-0.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R,3S)-2-(hydroxymethyl)-3,4-dihydro-2H-pyran-3-ol?
The IUPAC name of (2R,3S)-2-(hydroxymethyl)-3,4-dihydro-2H-pyran-3-ol (CID 12775331) is (2R,3S)-2-(hydroxymethyl)-3,4-dihydro-2H-pyran-3-ol.
What is the SMILES notation for (2R,3S)-2-(hydroxymethyl)-3,4-dihydro-2H-pyran-3-ol?
The canonical SMILES for (2R,3S)-2-(hydroxymethyl)-3,4-dihydro-2H-pyran-3-ol is OC[C@H]1OC=CC[C@@H]1O.
What is the InChIKey of (2R,3S)-2-(hydroxymethyl)-3,4-dihydro-2H-pyran-3-ol?
The InChIKey is BLJKPOLGWISUIM-NTSWFWBYSA-N. The full InChI is InChI=1S/C6H10O3/c7-4-6-5(8)2-1-3-9-6/h1,3,5-8H,2,4H2/t5-,6+/m0/s1.
What are the key properties of (2R,3S)-2-(hydroxymethyl)-3,4-dihydro-2H-pyran-3-ol?
(2R,3S)-2-(hydroxymethyl)-3,4-dihydro-2H-pyran-3-ol has a molecular weight of 130.14 g/mol, XLogP of -0.36, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-2-(hydroxymethyl)-3,4-dihydro-2H-pyran-3-ol is sourced from PubChem (CID 12775331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).