(3S,5R)-5-[(2S)-2,3-dihydroxypropyl]-3-hydroxyoxolan-2-one

C7H12O5 — CID 11769073

IUPAC(3S,5R)-5-[(2S)-2,3-dihydroxypropyl]-3-hydroxyoxolan-2-one
SMILESO=C1O[C@H](C[C@H](O)CO)C[C@@H]1O
InChIInChI=1S/C7H12O5/c8-3-4(9)1-5-2-6(10)7(11)12-5/h4-6,8-10H,1-3H2/t4-,5+,6-/m0/s1
InChIKeyMDFWLPMSLAYNBD-JKUQZMGJSA-N
MW176.17 g/mol
LogP-1.59
Rot. Bonds3

About (3S,5R)-5-[(2S)-2,3-dihydroxypropyl]-3-hydroxyoxolan-2-one

(3S,5R)-5-[(2S)-2,3-dihydroxypropyl]-3-hydroxyoxolan-2-one (PubChem CID 11769073) has the molecular formula C7H12O5 and a molecular weight of 176.17 g/mol. Its IUPAC name is (3S,5R)-5-[(2S)-2,3-dihydroxypropyl]-3-hydroxyoxolan-2-one.

Molecular Properties

Compound Name(3S,5R)-5-[(2S)-2,3-dihydroxypropyl]-3-hydroxyoxolan-2-one
PubChem CID11769073
Molecular FormulaC7H12O5
Molecular Weight176.17 g/mol
Exact Mass176.07
IUPAC Name(3S,5R)-5-[(2S)-2,3-dihydroxypropyl]-3-hydroxyoxolan-2-one
SMILESO=C1O[C@H](C[C@H](O)CO)C[C@@H]1O
InChIInChI=1S/C7H12O5/c8-3-4(9)1-5-2-6(10)7(11)12-5/h4-6,8-10H,1-3H2/t4-,5+,6-/m0/s1
InChIKeyMDFWLPMSLAYNBD-JKUQZMGJSA-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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Frequently Asked Questions

What is the IUPAC name of (3S,5R)-5-[(2S)-2,3-dihydroxypropyl]-3-hydroxyoxolan-2-one?
The IUPAC name of (3S,5R)-5-[(2S)-2,3-dihydroxypropyl]-3-hydroxyoxolan-2-one (CID 11769073) is (3S,5R)-5-[(2S)-2,3-dihydroxypropyl]-3-hydroxyoxolan-2-one.
What is the SMILES notation for (3S,5R)-5-[(2S)-2,3-dihydroxypropyl]-3-hydroxyoxolan-2-one?
The canonical SMILES for (3S,5R)-5-[(2S)-2,3-dihydroxypropyl]-3-hydroxyoxolan-2-one is O=C1O[C@H](C[C@H](O)CO)C[C@@H]1O.
What is the InChIKey of (3S,5R)-5-[(2S)-2,3-dihydroxypropyl]-3-hydroxyoxolan-2-one?
The InChIKey is MDFWLPMSLAYNBD-JKUQZMGJSA-N. The full InChI is InChI=1S/C7H12O5/c8-3-4(9)1-5-2-6(10)7(11)12-5/h4-6,8-10H,1-3H2/t4-,5+,6-/m0/s1.
What are the key properties of (3S,5R)-5-[(2S)-2,3-dihydroxypropyl]-3-hydroxyoxolan-2-one?
(3S,5R)-5-[(2S)-2,3-dihydroxypropyl]-3-hydroxyoxolan-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 (3S,5R)-5-[(2S)-2,3-dihydroxypropyl]-3-hydroxyoxolan-2-one is sourced from PubChem (CID 11769073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).