(2S)-2,4-bis(hydroxymethyl)-2,3-dihydropyran-6-one

C7H10O4 — CID 130660381

IUPAC(2S)-2,4-bis(hydroxymethyl)-2,3-dihydropyran-6-one
SMILESO=C1C=C(CO)C[C@@H](CO)O1
InChIInChI=1S/C7H10O4/c8-3-5-1-6(4-9)11-7(10)2-5/h2,6,8-9H,1,3-4H2/t6-/m0/s1
InChIKeyOLMMEIFPPJUTTI-LURJTMIESA-N
MW158.15 g/mol
LogP-0.79
Rot. Bonds2

About (2S)-2,4-bis(hydroxymethyl)-2,3-dihydropyran-6-one

(2S)-2,4-bis(hydroxymethyl)-2,3-dihydropyran-6-one (PubChem CID 130660381) has the molecular formula C7H10O4 and a molecular weight of 158.15 g/mol. Its IUPAC name is (2S)-2,4-bis(hydroxymethyl)-2,3-dihydropyran-6-one.

Molecular Properties

Compound Name(2S)-2,4-bis(hydroxymethyl)-2,3-dihydropyran-6-one
PubChem CID130660381
Molecular FormulaC7H10O4
Molecular Weight158.15 g/mol
Exact Mass158.06
IUPAC Name(2S)-2,4-bis(hydroxymethyl)-2,3-dihydropyran-6-one
SMILESO=C1C=C(CO)C[C@@H](CO)O1
InChIInChI=1S/C7H10O4/c8-3-5-1-6(4-9)11-7(10)2-5/h2,6,8-9H,1,3-4H2/t6-/m0/s1
InChIKeyOLMMEIFPPJUTTI-LURJTMIESA-N
XLogP-0.79
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.15
LogP ≤ 5-0.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S)-2,4-bis(hydroxymethyl)-2,3-dihydropyran-6-one?
The IUPAC name of (2S)-2,4-bis(hydroxymethyl)-2,3-dihydropyran-6-one (CID 130660381) is (2S)-2,4-bis(hydroxymethyl)-2,3-dihydropyran-6-one.
What is the SMILES notation for (2S)-2,4-bis(hydroxymethyl)-2,3-dihydropyran-6-one?
The canonical SMILES for (2S)-2,4-bis(hydroxymethyl)-2,3-dihydropyran-6-one is O=C1C=C(CO)C[C@@H](CO)O1.
What is the InChIKey of (2S)-2,4-bis(hydroxymethyl)-2,3-dihydropyran-6-one?
The InChIKey is OLMMEIFPPJUTTI-LURJTMIESA-N. The full InChI is InChI=1S/C7H10O4/c8-3-5-1-6(4-9)11-7(10)2-5/h2,6,8-9H,1,3-4H2/t6-/m0/s1.
What are the key properties of (2S)-2,4-bis(hydroxymethyl)-2,3-dihydropyran-6-one?
(2S)-2,4-bis(hydroxymethyl)-2,3-dihydropyran-6-one has a molecular weight of 158.15 g/mol, XLogP of -0.79, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2,4-bis(hydroxymethyl)-2,3-dihydropyran-6-one is sourced from PubChem (CID 130660381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).