(2R,3R)-3,5-dihydroxy-2-(hydroxymethyl)-2,3-dihydropyran-4-one

C6H8O5 — CID 11789499

IUPAC(2R,3R)-3,5-dihydroxy-2-(hydroxymethyl)-2,3-dihydropyran-4-one
SMILESO=C1C(O)=CO[C@H](CO)[C@H]1O
InChIInChI=1S/C6H8O5/c7-1-4-6(10)5(9)3(8)2-11-4/h2,4,6-8,10H,1H2/t4-,6-/m1/s1
InChIKeyCLDKGBMTBWSEPC-INEUFUBQSA-N
MW160.12 g/mol
LogP-1.29
Rot. Bonds1

About (2R,3R)-3,5-dihydroxy-2-(hydroxymethyl)-2,3-dihydropyran-4-one

(2R,3R)-3,5-dihydroxy-2-(hydroxymethyl)-2,3-dihydropyran-4-one (PubChem CID 11789499) has the molecular formula C6H8O5 and a molecular weight of 160.12 g/mol. Its IUPAC name is (2R,3R)-3,5-dihydroxy-2-(hydroxymethyl)-2,3-dihydropyran-4-one.

Molecular Properties

Compound Name(2R,3R)-3,5-dihydroxy-2-(hydroxymethyl)-2,3-dihydropyran-4-one
PubChem CID11789499
Molecular FormulaC6H8O5
Molecular Weight160.12 g/mol
Exact Mass160.04
IUPAC Name(2R,3R)-3,5-dihydroxy-2-(hydroxymethyl)-2,3-dihydropyran-4-one
SMILESO=C1C(O)=CO[C@H](CO)[C@H]1O
InChIInChI=1S/C6H8O5/c7-1-4-6(10)5(9)3(8)2-11-4/h2,4,6-8,10H,1H2/t4-,6-/m1/s1
InChIKeyCLDKGBMTBWSEPC-INEUFUBQSA-N
XLogP-1.29
TPSA86.99 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.12
LogP ≤ 5-1.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2R,3R)-3,5-dihydroxy-2-(hydroxymethyl)-2,3-dihydropyran-4-one?
The IUPAC name of (2R,3R)-3,5-dihydroxy-2-(hydroxymethyl)-2,3-dihydropyran-4-one (CID 11789499) is (2R,3R)-3,5-dihydroxy-2-(hydroxymethyl)-2,3-dihydropyran-4-one.
What is the SMILES notation for (2R,3R)-3,5-dihydroxy-2-(hydroxymethyl)-2,3-dihydropyran-4-one?
The canonical SMILES for (2R,3R)-3,5-dihydroxy-2-(hydroxymethyl)-2,3-dihydropyran-4-one is O=C1C(O)=CO[C@H](CO)[C@H]1O.
What is the InChIKey of (2R,3R)-3,5-dihydroxy-2-(hydroxymethyl)-2,3-dihydropyran-4-one?
The InChIKey is CLDKGBMTBWSEPC-INEUFUBQSA-N. The full InChI is InChI=1S/C6H8O5/c7-1-4-6(10)5(9)3(8)2-11-4/h2,4,6-8,10H,1H2/t4-,6-/m1/s1.
What are the key properties of (2R,3R)-3,5-dihydroxy-2-(hydroxymethyl)-2,3-dihydropyran-4-one?
(2R,3R)-3,5-dihydroxy-2-(hydroxymethyl)-2,3-dihydropyran-4-one has a molecular weight of 160.12 g/mol, XLogP of -1.29, 1 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-3,5-dihydroxy-2-(hydroxymethyl)-2,3-dihydropyran-4-one is sourced from PubChem (CID 11789499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).