(2R)-2-[(1S)-1,2-dihydroxyethyl]-4-hydroxy-3-propoxy-2H-furan-5-one

C9H14O6 — CID 10798844

IUPAC(2R)-2-[(1S)-1,2-dihydroxyethyl]-4-hydroxy-3-propoxy-2H-furan-5-one
SMILESCCCOC1=C(O)C(=O)O[C@@H]1[C@@H](O)CO
InChIInChI=1S/C9H14O6/c1-2-3-14-8-6(12)9(13)15-7(8)5(11)4-10/h5,7,10-12H,2-4H2,1H3/t5-,7+/m0/s1
InChIKeyVNCOLRBYIYYPBZ-CAHLUQPWSA-N
MW218.20 g/mol
LogP-0.54
Rot. Bonds5

About (2R)-2-[(1S)-1,2-dihydroxyethyl]-4-hydroxy-3-propoxy-2H-furan-5-one

(2R)-2-[(1S)-1,2-dihydroxyethyl]-4-hydroxy-3-propoxy-2H-furan-5-one (PubChem CID 10798844) has the molecular formula C9H14O6 and a molecular weight of 218.20 g/mol. Its IUPAC name is (2R)-2-[(1S)-1,2-dihydroxyethyl]-4-hydroxy-3-propoxy-2H-furan-5-one.

Molecular Properties

Compound Name(2R)-2-[(1S)-1,2-dihydroxyethyl]-4-hydroxy-3-propoxy-2H-furan-5-one
PubChem CID10798844
Molecular FormulaC9H14O6
Molecular Weight218.20 g/mol
Exact Mass218.08
IUPAC Name(2R)-2-[(1S)-1,2-dihydroxyethyl]-4-hydroxy-3-propoxy-2H-furan-5-one
SMILESCCCOC1=C(O)C(=O)O[C@@H]1[C@@H](O)CO
InChIInChI=1S/C9H14O6/c1-2-3-14-8-6(12)9(13)15-7(8)5(11)4-10/h5,7,10-12H,2-4H2,1H3/t5-,7+/m0/s1
InChIKeyVNCOLRBYIYYPBZ-CAHLUQPWSA-N
XLogP-0.54
TPSA96.22 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.20
LogP ≤ 5-0.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(1S)-1,2-dihydroxyethyl]-4-hydroxy-3-propoxy-2H-furan-5-one?
The IUPAC name of (2R)-2-[(1S)-1,2-dihydroxyethyl]-4-hydroxy-3-propoxy-2H-furan-5-one (CID 10798844) is (2R)-2-[(1S)-1,2-dihydroxyethyl]-4-hydroxy-3-propoxy-2H-furan-5-one.
What is the SMILES notation for (2R)-2-[(1S)-1,2-dihydroxyethyl]-4-hydroxy-3-propoxy-2H-furan-5-one?
The canonical SMILES for (2R)-2-[(1S)-1,2-dihydroxyethyl]-4-hydroxy-3-propoxy-2H-furan-5-one is CCCOC1=C(O)C(=O)O[C@@H]1[C@@H](O)CO.
What is the InChIKey of (2R)-2-[(1S)-1,2-dihydroxyethyl]-4-hydroxy-3-propoxy-2H-furan-5-one?
The InChIKey is VNCOLRBYIYYPBZ-CAHLUQPWSA-N. The full InChI is InChI=1S/C9H14O6/c1-2-3-14-8-6(12)9(13)15-7(8)5(11)4-10/h5,7,10-12H,2-4H2,1H3/t5-,7+/m0/s1.
What are the key properties of (2R)-2-[(1S)-1,2-dihydroxyethyl]-4-hydroxy-3-propoxy-2H-furan-5-one?
(2R)-2-[(1S)-1,2-dihydroxyethyl]-4-hydroxy-3-propoxy-2H-furan-5-one has a molecular weight of 218.20 g/mol, XLogP of -0.54, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(1S)-1,2-dihydroxyethyl]-4-hydroxy-3-propoxy-2H-furan-5-one is sourced from PubChem (CID 10798844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).