(4S,5S)-5-[(1R)-1,2-dihydroxyethyl]-4-hydroxyoxolan-3-one

C6H10O5 — CID 102256723

IUPAC(4S,5S)-5-[(1R)-1,2-dihydroxyethyl]-4-hydroxyoxolan-3-one
SMILESO=C1CO[C@@H]([C@H](O)CO)[C@@H]1O
InChIInChI=1S/C6H10O5/c7-1-3(8)6-5(10)4(9)2-11-6/h3,5-8,10H,1-2H2/t3-,5-,6+/m1/s1
InChIKeyQMKUJGYJIQIANY-PUFIMZNGSA-N
MW162.14 g/mol
LogP-2.33
Rot. Bonds2

About (4S,5S)-5-[(1R)-1,2-dihydroxyethyl]-4-hydroxyoxolan-3-one

(4S,5S)-5-[(1R)-1,2-dihydroxyethyl]-4-hydroxyoxolan-3-one (PubChem CID 102256723) has the molecular formula C6H10O5 and a molecular weight of 162.14 g/mol. Its IUPAC name is (4S,5S)-5-[(1R)-1,2-dihydroxyethyl]-4-hydroxyoxolan-3-one.

Molecular Properties

Compound Name(4S,5S)-5-[(1R)-1,2-dihydroxyethyl]-4-hydroxyoxolan-3-one
PubChem CID102256723
Molecular FormulaC6H10O5
Molecular Weight162.14 g/mol
Exact Mass162.05
IUPAC Name(4S,5S)-5-[(1R)-1,2-dihydroxyethyl]-4-hydroxyoxolan-3-one
SMILESO=C1CO[C@@H]([C@H](O)CO)[C@@H]1O
InChIInChI=1S/C6H10O5/c7-1-3(8)6-5(10)4(9)2-11-6/h3,5-8,10H,1-2H2/t3-,5-,6+/m1/s1
InChIKeyQMKUJGYJIQIANY-PUFIMZNGSA-N
XLogP-2.33
TPSA86.99 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.14
LogP ≤ 5-2.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (4S,5S)-5-[(1R)-1,2-dihydroxyethyl]-4-hydroxyoxolan-3-one?
The IUPAC name of (4S,5S)-5-[(1R)-1,2-dihydroxyethyl]-4-hydroxyoxolan-3-one (CID 102256723) is (4S,5S)-5-[(1R)-1,2-dihydroxyethyl]-4-hydroxyoxolan-3-one.
What is the SMILES notation for (4S,5S)-5-[(1R)-1,2-dihydroxyethyl]-4-hydroxyoxolan-3-one?
The canonical SMILES for (4S,5S)-5-[(1R)-1,2-dihydroxyethyl]-4-hydroxyoxolan-3-one is O=C1CO[C@@H]([C@H](O)CO)[C@@H]1O.
What is the InChIKey of (4S,5S)-5-[(1R)-1,2-dihydroxyethyl]-4-hydroxyoxolan-3-one?
The InChIKey is QMKUJGYJIQIANY-PUFIMZNGSA-N. The full InChI is InChI=1S/C6H10O5/c7-1-3(8)6-5(10)4(9)2-11-6/h3,5-8,10H,1-2H2/t3-,5-,6+/m1/s1.
What are the key properties of (4S,5S)-5-[(1R)-1,2-dihydroxyethyl]-4-hydroxyoxolan-3-one?
(4S,5S)-5-[(1R)-1,2-dihydroxyethyl]-4-hydroxyoxolan-3-one has a molecular weight of 162.14 g/mol, XLogP of -2.33, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,5S)-5-[(1R)-1,2-dihydroxyethyl]-4-hydroxyoxolan-3-one is sourced from PubChem (CID 102256723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).