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

C10H14O6 — CID 10585525

IUPAC(2R)-2-[(1S)-1,2-dihydroxyethyl]-4-methoxy-3-prop-2-enoxy-2H-furan-5-one
SMILESC=CCOC1=C(OC)C(=O)O[C@@H]1[C@@H](O)CO
InChIInChI=1S/C10H14O6/c1-3-4-15-8-7(6(12)5-11)16-10(13)9(8)14-2/h3,6-7,11-12H,1,4-5H2,2H3/t6-,7+/m0/s1
InChIKeyFCPSGCXTJAMSRJ-NKWVEPMBSA-N
MW230.22 g/mol
LogP-0.67
Rot. Bonds6

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

(2R)-2-[(1S)-1,2-dihydroxyethyl]-4-methoxy-3-prop-2-enoxy-2H-furan-5-one (PubChem CID 10585525) has the molecular formula C10H14O6 and a molecular weight of 230.22 g/mol. Its IUPAC name is (2R)-2-[(1S)-1,2-dihydroxyethyl]-4-methoxy-3-prop-2-enoxy-2H-furan-5-one.

Molecular Properties

Compound Name(2R)-2-[(1S)-1,2-dihydroxyethyl]-4-methoxy-3-prop-2-enoxy-2H-furan-5-one
PubChem CID10585525
Molecular FormulaC10H14O6
Molecular Weight230.22 g/mol
Exact Mass230.08
IUPAC Name(2R)-2-[(1S)-1,2-dihydroxyethyl]-4-methoxy-3-prop-2-enoxy-2H-furan-5-one
SMILESC=CCOC1=C(OC)C(=O)O[C@@H]1[C@@H](O)CO
InChIInChI=1S/C10H14O6/c1-3-4-15-8-7(6(12)5-11)16-10(13)9(8)14-2/h3,6-7,11-12H,1,4-5H2,2H3/t6-,7+/m0/s1
InChIKeyFCPSGCXTJAMSRJ-NKWVEPMBSA-N
XLogP-0.67
TPSA85.22 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.22
LogP ≤ 5-0.67
H-Bond Donors ≤ 52
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-methoxy-3-prop-2-enoxy-2H-furan-5-one?
The IUPAC name of (2R)-2-[(1S)-1,2-dihydroxyethyl]-4-methoxy-3-prop-2-enoxy-2H-furan-5-one (CID 10585525) is (2R)-2-[(1S)-1,2-dihydroxyethyl]-4-methoxy-3-prop-2-enoxy-2H-furan-5-one.
What is the SMILES notation for (2R)-2-[(1S)-1,2-dihydroxyethyl]-4-methoxy-3-prop-2-enoxy-2H-furan-5-one?
The canonical SMILES for (2R)-2-[(1S)-1,2-dihydroxyethyl]-4-methoxy-3-prop-2-enoxy-2H-furan-5-one is C=CCOC1=C(OC)C(=O)O[C@@H]1[C@@H](O)CO.
What is the InChIKey of (2R)-2-[(1S)-1,2-dihydroxyethyl]-4-methoxy-3-prop-2-enoxy-2H-furan-5-one?
The InChIKey is FCPSGCXTJAMSRJ-NKWVEPMBSA-N. The full InChI is InChI=1S/C10H14O6/c1-3-4-15-8-7(6(12)5-11)16-10(13)9(8)14-2/h3,6-7,11-12H,1,4-5H2,2H3/t6-,7+/m0/s1.
What are the key properties of (2R)-2-[(1S)-1,2-dihydroxyethyl]-4-methoxy-3-prop-2-enoxy-2H-furan-5-one?
(2R)-2-[(1S)-1,2-dihydroxyethyl]-4-methoxy-3-prop-2-enoxy-2H-furan-5-one has a molecular weight of 230.22 g/mol, XLogP of -0.67, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(1S)-1,2-dihydroxyethyl]-4-methoxy-3-prop-2-enoxy-2H-furan-5-one is sourced from PubChem (CID 10585525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).