(3S,5S)-3-(2-hydroxyethyl)-5-[(2R)-2-hydroxypropyl]oxolan-2-one

C9H16O4 — CID 641678

IUPAC(3S,5S)-3-(2-hydroxyethyl)-5-[(2R)-2-hydroxypropyl]oxolan-2-one
SMILESC[C@@H](O)C[C@@H]1C[C@H](CCO)C(=O)O1
InChIInChI=1S/C9H16O4/c1-6(11)4-8-5-7(2-3-10)9(12)13-8/h6-8,10-11H,2-5H2,1H3/t6-,7+,8-/m1/s1
InChIKeyFWOZSTFAXJAMFE-GJMOJQLCSA-N
MW188.22 g/mol
LogP0.07
Rot. Bonds4

About (3S,5S)-3-(2-hydroxyethyl)-5-[(2R)-2-hydroxypropyl]oxolan-2-one

(3S,5S)-3-(2-hydroxyethyl)-5-[(2R)-2-hydroxypropyl]oxolan-2-one (PubChem CID 641678) has the molecular formula C9H16O4 and a molecular weight of 188.22 g/mol. Its IUPAC name is (3S,5S)-3-(2-hydroxyethyl)-5-[(2R)-2-hydroxypropyl]oxolan-2-one.

Molecular Properties

Compound Name(3S,5S)-3-(2-hydroxyethyl)-5-[(2R)-2-hydroxypropyl]oxolan-2-one
PubChem CID641678
Molecular FormulaC9H16O4
Molecular Weight188.22 g/mol
Exact Mass188.10
IUPAC Name(3S,5S)-3-(2-hydroxyethyl)-5-[(2R)-2-hydroxypropyl]oxolan-2-one
SMILESC[C@@H](O)C[C@@H]1C[C@H](CCO)C(=O)O1
InChIInChI=1S/C9H16O4/c1-6(11)4-8-5-7(2-3-10)9(12)13-8/h6-8,10-11H,2-5H2,1H3/t6-,7+,8-/m1/s1
InChIKeyFWOZSTFAXJAMFE-GJMOJQLCSA-N
XLogP0.07
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.22
LogP ≤ 50.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

Sorbitan Isostearate
CID 91886584
Sorbitan Diisostearate
CID 118856081
Virginiamycin butanolide C
CID 131000
(2R)-2-((2R,5S)-5-((2S)-2-Hydroxybutyl)oxolan-2-YL)propanoic acid
CID 11053074
2-Carboxy-4-dodecanolide
CID 85931447
(R)-5-{(6S,11S)-6,11-Dihydroxy-11-[(2S,5S)-5-((S)-1-hydroxy-tridecyl)-tetrahydro-furan-2-yl]-undecyl}-3-(2-hydroxy-propyl)-dihydro-furan-2-one
CID 44353660
(S)-5-Methyl-3-{(2R,8S,13S)-2,8,13-trihydroxy-13-[(2S,5S)-5-((S)-1-hydroxy-tridecyl)-tetrahydro-furan-2-yl]-tridecyl}-dihydro-furan-2-one
CID 44353869
{2-Hydroxy-6-[(propan-2-yl)oxy]cyclohexyl}acetic acid
CID 230452
(2S,3S,4S)-4-Methyl-5-oxo-2-pentyloxolane-3-carboxylic acid
CID 184105
Feigrisolide C
CID 10668706
Feigrisolide D
CID 10693132
Nonactic acid
CID 12313435

Frequently Asked Questions

What is the IUPAC name of (3S,5S)-3-(2-hydroxyethyl)-5-[(2R)-2-hydroxypropyl]oxolan-2-one?
The IUPAC name of (3S,5S)-3-(2-hydroxyethyl)-5-[(2R)-2-hydroxypropyl]oxolan-2-one (CID 641678) is (3S,5S)-3-(2-hydroxyethyl)-5-[(2R)-2-hydroxypropyl]oxolan-2-one.
What is the SMILES notation for (3S,5S)-3-(2-hydroxyethyl)-5-[(2R)-2-hydroxypropyl]oxolan-2-one?
The canonical SMILES for (3S,5S)-3-(2-hydroxyethyl)-5-[(2R)-2-hydroxypropyl]oxolan-2-one is C[C@@H](O)C[C@@H]1C[C@H](CCO)C(=O)O1.
What is the InChIKey of (3S,5S)-3-(2-hydroxyethyl)-5-[(2R)-2-hydroxypropyl]oxolan-2-one?
The InChIKey is FWOZSTFAXJAMFE-GJMOJQLCSA-N. The full InChI is InChI=1S/C9H16O4/c1-6(11)4-8-5-7(2-3-10)9(12)13-8/h6-8,10-11H,2-5H2,1H3/t6-,7+,8-/m1/s1.
What are the key properties of (3S,5S)-3-(2-hydroxyethyl)-5-[(2R)-2-hydroxypropyl]oxolan-2-one?
(3S,5S)-3-(2-hydroxyethyl)-5-[(2R)-2-hydroxypropyl]oxolan-2-one has a molecular weight of 188.22 g/mol, XLogP of 0.07, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,5S)-3-(2-hydroxyethyl)-5-[(2R)-2-hydroxypropyl]oxolan-2-one is sourced from PubChem (CID 641678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).