(2R)-2-[(1R)-2-bromo-1-hydroxyethyl]-3-hydroxy-4-methoxy-2H-furan-5-one

C7H9BrO5 — CID 54689209

IUPAC(2R)-2-[(1R)-2-bromo-1-hydroxyethyl]-3-hydroxy-4-methoxy-2H-furan-5-one
SMILESCOC1=C(O)[C@@H]([C@@H](O)CBr)OC1=O
InChIInChI=1S/C7H9BrO5/c1-12-6-4(10)5(3(9)2-8)13-7(6)11/h3,5,9-10H,2H2,1H3/t3-,5+/m0/s1
InChIKeyWEZPOGWDFMJLMU-WVZVXSGGSA-N
MW253.05 g/mol
LogP0.08
Rot. Bonds3

About (2R)-2-[(1R)-2-bromo-1-hydroxyethyl]-3-hydroxy-4-methoxy-2H-furan-5-one

(2R)-2-[(1R)-2-bromo-1-hydroxyethyl]-3-hydroxy-4-methoxy-2H-furan-5-one (PubChem CID 54689209) has the molecular formula C7H9BrO5 and a molecular weight of 253.05 g/mol. Its IUPAC name is (2R)-2-[(1R)-2-bromo-1-hydroxyethyl]-3-hydroxy-4-methoxy-2H-furan-5-one.

Molecular Properties

Compound Name(2R)-2-[(1R)-2-bromo-1-hydroxyethyl]-3-hydroxy-4-methoxy-2H-furan-5-one
PubChem CID54689209
Molecular FormulaC7H9BrO5
Molecular Weight253.05 g/mol
Exact Mass251.96
IUPAC Name(2R)-2-[(1R)-2-bromo-1-hydroxyethyl]-3-hydroxy-4-methoxy-2H-furan-5-one
SMILESCOC1=C(O)[C@@H]([C@@H](O)CBr)OC1=O
InChIInChI=1S/C7H9BrO5/c1-12-6-4(10)5(3(9)2-8)13-7(6)11/h3,5,9-10H,2H2,1H3/t3-,5+/m0/s1
InChIKeyWEZPOGWDFMJLMU-WVZVXSGGSA-N
XLogP0.08
TPSA75.99 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.05
LogP ≤ 50.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(1R)-2-bromo-1-hydroxyethyl]-3-hydroxy-4-methoxy-2H-furan-5-one?
The IUPAC name of (2R)-2-[(1R)-2-bromo-1-hydroxyethyl]-3-hydroxy-4-methoxy-2H-furan-5-one (CID 54689209) is (2R)-2-[(1R)-2-bromo-1-hydroxyethyl]-3-hydroxy-4-methoxy-2H-furan-5-one.
What is the SMILES notation for (2R)-2-[(1R)-2-bromo-1-hydroxyethyl]-3-hydroxy-4-methoxy-2H-furan-5-one?
The canonical SMILES for (2R)-2-[(1R)-2-bromo-1-hydroxyethyl]-3-hydroxy-4-methoxy-2H-furan-5-one is COC1=C(O)[C@@H]([C@@H](O)CBr)OC1=O.
What is the InChIKey of (2R)-2-[(1R)-2-bromo-1-hydroxyethyl]-3-hydroxy-4-methoxy-2H-furan-5-one?
The InChIKey is WEZPOGWDFMJLMU-WVZVXSGGSA-N. The full InChI is InChI=1S/C7H9BrO5/c1-12-6-4(10)5(3(9)2-8)13-7(6)11/h3,5,9-10H,2H2,1H3/t3-,5+/m0/s1.
What are the key properties of (2R)-2-[(1R)-2-bromo-1-hydroxyethyl]-3-hydroxy-4-methoxy-2H-furan-5-one?
(2R)-2-[(1R)-2-bromo-1-hydroxyethyl]-3-hydroxy-4-methoxy-2H-furan-5-one has a molecular weight of 253.05 g/mol, XLogP of 0.08, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(1R)-2-bromo-1-hydroxyethyl]-3-hydroxy-4-methoxy-2H-furan-5-one is sourced from PubChem (CID 54689209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).