(2R)-4-bromo-3-hydroxy-2-(hydroxymethyl)-2H-furan-5-one

C5H5BrO4 — CID 67873035

IUPAC(2R)-4-bromo-3-hydroxy-2-(hydroxymethyl)-2H-furan-5-one
SMILESO=C1O[C@H](CO)C(O)=C1Br
InChIInChI=1S/C5H5BrO4/c6-3-4(8)2(1-7)10-5(3)9/h2,7-8H,1H2/t2-/m1/s1
InChIKeyKVIJNKVVGJRLRI-UWTATZPHSA-N
MW208.99 g/mol
LogP0.07
Rot. Bonds1

About (2R)-4-bromo-3-hydroxy-2-(hydroxymethyl)-2H-furan-5-one

(2R)-4-bromo-3-hydroxy-2-(hydroxymethyl)-2H-furan-5-one (PubChem CID 67873035) has the molecular formula C5H5BrO4 and a molecular weight of 208.99 g/mol. Its IUPAC name is (2R)-4-bromo-3-hydroxy-2-(hydroxymethyl)-2H-furan-5-one.

Molecular Properties

Compound Name(2R)-4-bromo-3-hydroxy-2-(hydroxymethyl)-2H-furan-5-one
PubChem CID67873035
Molecular FormulaC5H5BrO4
Molecular Weight208.99 g/mol
Exact Mass207.94
IUPAC Name(2R)-4-bromo-3-hydroxy-2-(hydroxymethyl)-2H-furan-5-one
SMILESO=C1O[C@H](CO)C(O)=C1Br
InChIInChI=1S/C5H5BrO4/c6-3-4(8)2(1-7)10-5(3)9/h2,7-8H,1H2/t2-/m1/s1
InChIKeyKVIJNKVVGJRLRI-UWTATZPHSA-N
XLogP0.07
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.99
LogP ≤ 50.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-4-amino-3-hydroxy-2-(hydroxymethyl)-2H-furan-5-one
CID 90469706
3,6,9,12,15,18,21,24,27-nonakis(hydroxymethyl)-1,4,7,10,13,16,19,22,25-nonaoxacycloheptacosane-2,5,8,11,14,17,20,23,26-nonone
CID 140513854
5-(hydroxymethyl)-3-methylideneoxolane-2,4-dione
CID 143535173
2-(4-bromo-3-methyl-5-oxo-2H-furan-2-yl)acetic acid
CID 10728431
3,4-dihydroxy-2-(3-hydroxypropyl)-2H-furan-5-one
CID 69257607
3-hydroxy-2-(hydroxymethyl)-4-(11-methylpentadecanoyl)-2H-furan-5-one
CID 121434397
(2R)-3-hydroxy-2-(hydroxymethyl)-4-[(E)-octadec-8-enoyl]-2H-furan-5-one
CID 101147221
(5R)-5-(hydroxymethyl)oxolane-2,4-dione
CID 131848654
(3S,6S)-3-(hydroxymethyl)-6-methyl-1,4-dioxane-2,5-dione
CID 59819049
3,4-dibromo-2-ethynyl-2H-furan-5-one
CID 10423011
(4R,6R)-4,6-bis(hydroxymethyl)-1,3-dioxan-5-one
CID 119097386
(2R)-2-ethyl-4-hydroxy-3-methyl-2H-furan-5-one
CID 5325922

Frequently Asked Questions

What is the IUPAC name of (2R)-4-bromo-3-hydroxy-2-(hydroxymethyl)-2H-furan-5-one?
The IUPAC name of (2R)-4-bromo-3-hydroxy-2-(hydroxymethyl)-2H-furan-5-one (CID 67873035) is (2R)-4-bromo-3-hydroxy-2-(hydroxymethyl)-2H-furan-5-one.
What is the SMILES notation for (2R)-4-bromo-3-hydroxy-2-(hydroxymethyl)-2H-furan-5-one?
The canonical SMILES for (2R)-4-bromo-3-hydroxy-2-(hydroxymethyl)-2H-furan-5-one is O=C1O[C@H](CO)C(O)=C1Br.
What is the InChIKey of (2R)-4-bromo-3-hydroxy-2-(hydroxymethyl)-2H-furan-5-one?
The InChIKey is KVIJNKVVGJRLRI-UWTATZPHSA-N. The full InChI is InChI=1S/C5H5BrO4/c6-3-4(8)2(1-7)10-5(3)9/h2,7-8H,1H2/t2-/m1/s1.
What are the key properties of (2R)-4-bromo-3-hydroxy-2-(hydroxymethyl)-2H-furan-5-one?
(2R)-4-bromo-3-hydroxy-2-(hydroxymethyl)-2H-furan-5-one has a molecular weight of 208.99 g/mol, XLogP of 0.07, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-bromo-3-hydroxy-2-(hydroxymethyl)-2H-furan-5-one is sourced from PubChem (CID 67873035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).