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

C9H12O6 — CID 10656342

IUPAC(2R)-2-[(1S)-1,2-dihydroxyethyl]-4-hydroxy-3-prop-2-enoxy-2H-furan-5-one
SMILESC=CCOC1=C(O)C(=O)O[C@@H]1[C@@H](O)CO
InChIInChI=1S/C9H12O6/c1-2-3-14-8-6(12)9(13)15-7(8)5(11)4-10/h2,5,7,10-12H,1,3-4H2/t5-,7+/m0/s1
InChIKeyLJJMGPQFSHZDJC-CAHLUQPWSA-N
MW216.19 g/mol
LogP-0.76
Rot. Bonds5

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

(2R)-2-[(1S)-1,2-dihydroxyethyl]-4-hydroxy-3-prop-2-enoxy-2H-furan-5-one (PubChem CID 10656342) has the molecular formula C9H12O6 and a molecular weight of 216.19 g/mol. Its IUPAC name is (2R)-2-[(1S)-1,2-dihydroxyethyl]-4-hydroxy-3-prop-2-enoxy-2H-furan-5-one.

Molecular Properties

Compound Name(2R)-2-[(1S)-1,2-dihydroxyethyl]-4-hydroxy-3-prop-2-enoxy-2H-furan-5-one
PubChem CID10656342
Molecular FormulaC9H12O6
Molecular Weight216.19 g/mol
Exact Mass216.06
IUPAC Name(2R)-2-[(1S)-1,2-dihydroxyethyl]-4-hydroxy-3-prop-2-enoxy-2H-furan-5-one
SMILESC=CCOC1=C(O)C(=O)O[C@@H]1[C@@H](O)CO
InChIInChI=1S/C9H12O6/c1-2-3-14-8-6(12)9(13)15-7(8)5(11)4-10/h2,5,7,10-12H,1,3-4H2/t5-,7+/m0/s1
InChIKeyLJJMGPQFSHZDJC-CAHLUQPWSA-N
XLogP-0.76
TPSA96.22 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.19
LogP ≤ 5-0.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(1S)-1,2-dihydroxyethyl]-4-hydroxy-3-prop-2-enoxy-2H-furan-5-one?
The IUPAC name of (2R)-2-[(1S)-1,2-dihydroxyethyl]-4-hydroxy-3-prop-2-enoxy-2H-furan-5-one (CID 10656342) is (2R)-2-[(1S)-1,2-dihydroxyethyl]-4-hydroxy-3-prop-2-enoxy-2H-furan-5-one.
What is the SMILES notation for (2R)-2-[(1S)-1,2-dihydroxyethyl]-4-hydroxy-3-prop-2-enoxy-2H-furan-5-one?
The canonical SMILES for (2R)-2-[(1S)-1,2-dihydroxyethyl]-4-hydroxy-3-prop-2-enoxy-2H-furan-5-one is C=CCOC1=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-prop-2-enoxy-2H-furan-5-one?
The InChIKey is LJJMGPQFSHZDJC-CAHLUQPWSA-N. The full InChI is InChI=1S/C9H12O6/c1-2-3-14-8-6(12)9(13)15-7(8)5(11)4-10/h2,5,7,10-12H,1,3-4H2/t5-,7+/m0/s1.
What are the key properties of (2R)-2-[(1S)-1,2-dihydroxyethyl]-4-hydroxy-3-prop-2-enoxy-2H-furan-5-one?
(2R)-2-[(1S)-1,2-dihydroxyethyl]-4-hydroxy-3-prop-2-enoxy-2H-furan-5-one has a molecular weight of 216.19 g/mol, XLogP of -0.76, 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-prop-2-enoxy-2H-furan-5-one is sourced from PubChem (CID 10656342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).