5-[(1S,2S)-1,2,3-trihydroxypropyl]oxolan-2-one

C7H12O5 — CID 130803122

IUPAC5-[(1S,2S)-1,2,3-trihydroxypropyl]oxolan-2-one
SMILESO=C1CCC([C@@H](O)[C@@H](O)CO)O1
InChIInChI=1S/C7H12O5/c8-3-4(9)7(11)5-1-2-6(10)12-5/h4-5,7-9,11H,1-3H2/t4-,5?,7-/m0/s1
InChIKeyUUCZNBCOKXSKLU-VZWBMFKNSA-N
MW176.17 g/mol
LogP-1.59
Rot. Bonds3

About 5-[(1S,2S)-1,2,3-trihydroxypropyl]oxolan-2-one

5-[(1S,2S)-1,2,3-trihydroxypropyl]oxolan-2-one (PubChem CID 130803122) has the molecular formula C7H12O5 and a molecular weight of 176.17 g/mol. Its IUPAC name is 5-[(1S,2S)-1,2,3-trihydroxypropyl]oxolan-2-one.

Molecular Properties

Compound Name5-[(1S,2S)-1,2,3-trihydroxypropyl]oxolan-2-one
PubChem CID130803122
Molecular FormulaC7H12O5
Molecular Weight176.17 g/mol
Exact Mass176.07
IUPAC Name5-[(1S,2S)-1,2,3-trihydroxypropyl]oxolan-2-one
SMILESO=C1CCC([C@@H](O)[C@@H](O)CO)O1
InChIInChI=1S/C7H12O5/c8-3-4(9)7(11)5-1-2-6(10)12-5/h4-5,7-9,11H,1-3H2/t4-,5?,7-/m0/s1
InChIKeyUUCZNBCOKXSKLU-VZWBMFKNSA-N
XLogP-1.59
TPSA86.99 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.17
LogP ≤ 5-1.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

(5S)-5-[(1S,2S)-1-[tert-butyl(dimethyl)silyl]oxy-2,3-dihydroxypropyl]oxolan-2-one
CID 10732272
(5R)-5-[(1S)-2-bromo-1-hydroxyethyl]oxolan-2-one
CID 11735937
(5R)-5-[(1R)-1-hydroxyprop-2-ynyl]oxolan-2-one
CID 45113846
5-(3-hydroxy-1-methoxypropyl)oxolan-2-one
CID 69292086
(5S)-5-[(1S)-1-bromopropyl]oxolan-2-one
CID 134965228
(5S)-5-[(1R)-1-hydroxy-2-phenylethyl]oxolan-2-one
CID 10867470
(5R)-5-[(1S)-1-hydroxypentadecyl]oxolan-2-one
CID 139039707
(5R)-5-[(1S)-1-hydroxytridecyl]oxolan-2-one
CID 11748091
5-[[tert-butyl(dimethyl)silyl]-hydroxymethyl]oxolan-2-one
CID 69374785
(5S)-5-[(R)-hydroxy(phenyl)methyl]oxolan-2-one
CID 11229284
5-(1-iodoethyl)oxolan-2-one
CID 101198694
5-(hydroxymethyl)oxolan-2-one
CID 158931038

Frequently Asked Questions

What is the IUPAC name of 5-[(1S,2S)-1,2,3-trihydroxypropyl]oxolan-2-one?
The IUPAC name of 5-[(1S,2S)-1,2,3-trihydroxypropyl]oxolan-2-one (CID 130803122) is 5-[(1S,2S)-1,2,3-trihydroxypropyl]oxolan-2-one.
What is the SMILES notation for 5-[(1S,2S)-1,2,3-trihydroxypropyl]oxolan-2-one?
The canonical SMILES for 5-[(1S,2S)-1,2,3-trihydroxypropyl]oxolan-2-one is O=C1CCC([C@@H](O)[C@@H](O)CO)O1.
What is the InChIKey of 5-[(1S,2S)-1,2,3-trihydroxypropyl]oxolan-2-one?
The InChIKey is UUCZNBCOKXSKLU-VZWBMFKNSA-N. The full InChI is InChI=1S/C7H12O5/c8-3-4(9)7(11)5-1-2-6(10)12-5/h4-5,7-9,11H,1-3H2/t4-,5?,7-/m0/s1.
What are the key properties of 5-[(1S,2S)-1,2,3-trihydroxypropyl]oxolan-2-one?
5-[(1S,2S)-1,2,3-trihydroxypropyl]oxolan-2-one has a molecular weight of 176.17 g/mol, XLogP of -1.59, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1S,2S)-1,2,3-trihydroxypropyl]oxolan-2-one is sourced from PubChem (CID 130803122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).