(2R)-2-hydroxy-2-[(2R)-3-hydroxy-5-oxo-4-sulfooxy-2H-furan-2-yl]acetic acid

C6H6O10S — CID 169442879

IUPAC(2R)-2-hydroxy-2-[(2R)-3-hydroxy-5-oxo-4-sulfooxy-2H-furan-2-yl]acetic acid
SMILESO=C1O[C@H]([C@@H](O)C(=O)O)C(O)=C1OS(=O)(=O)O
InChIInChI=1S/C6H6O10S/c7-1-3(2(8)5(9)10)15-6(11)4(1)16-17(12,13)14/h2-3,7-8H,(H,9,10)(H,12,13,14)/t2-,3+/m1/s1
InChIKeyGGXUXURABLYBBP-GBXIJSLDSA-N
MW270.17 g/mol
LogP-2.05
Rot. Bonds4

About (2R)-2-hydroxy-2-[(2R)-3-hydroxy-5-oxo-4-sulfooxy-2H-furan-2-yl]acetic acid

(2R)-2-hydroxy-2-[(2R)-3-hydroxy-5-oxo-4-sulfooxy-2H-furan-2-yl]acetic acid (PubChem CID 169442879) has the molecular formula C6H6O10S and a molecular weight of 270.17 g/mol. Its IUPAC name is (2R)-2-hydroxy-2-[(2R)-3-hydroxy-5-oxo-4-sulfooxy-2H-furan-2-yl]acetic acid.

Molecular Properties

Compound Name(2R)-2-hydroxy-2-[(2R)-3-hydroxy-5-oxo-4-sulfooxy-2H-furan-2-yl]acetic acid
PubChem CID169442879
Molecular FormulaC6H6O10S
Molecular Weight270.17 g/mol
Exact Mass269.97
IUPAC Name(2R)-2-hydroxy-2-[(2R)-3-hydroxy-5-oxo-4-sulfooxy-2H-furan-2-yl]acetic acid
SMILESO=C1O[C@H]([C@@H](O)C(=O)O)C(O)=C1OS(=O)(=O)O
InChIInChI=1S/C6H6O10S/c7-1-3(2(8)5(9)10)15-6(11)4(1)16-17(12,13)14/h2-3,7-8H,(H,9,10)(H,12,13,14)/t2-,3+/m1/s1
InChIKeyGGXUXURABLYBBP-GBXIJSLDSA-N
XLogP-2.05
TPSA167.66 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.17
LogP ≤ 5-2.05
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

Analyze (2R)-2-hydroxy-2-[(2R)-3-hydroxy-5-oxo-4-sulfooxy-2H-furan-2-yl]acetic acid with MolForge

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Launch Full Analysis

Related Compounds

[(2S)-2-[(1S)-1,2-dihydroxyethyl]-3-hydroxy-5-oxo-2H-furan-4-yl] hydrogen sulfate
CID 90473291
sodium (2R)-2-[(1S)-1,2-dihydroxyethyl]-5-oxo-4-sulfooxy-2H-furan-3-olate
CID 102065491
(2R)-2-[(1R)-2-bromo-1-hydroxyethyl]-3-hydroxy-4-methoxy-2H-furan-5-one
CID 54689209
[2-hydroxy-2-(3-hydroxy-4-methoxy-5-oxo-2H-furan-2-yl)ethyl] acetate
CID 54732327
(2R)-2-[(1R)-1,2-dihydroxy-3-methylbut-2-enyl]-3,4-dihydroxy-2H-furan-5-one
CID 68975358
(2R)-2-[(1S)-1,2-dihydroxyethyl]-3,4-dihydroxy-2H-furan-5-one;sulfuric acid
CID 66675533
(2R)-2-[(2R)-3,4-dihydroxy-5-oxo-2H-furan-2-yl]-1,2-dihydroxyethane-1,1-disulfonic acid
CID 139824354
[(2R)-2-(1,2-dihydroxyethyl)-3-hydroxy-5-oxo-2H-furan-4-yl] dihydrogen phosphate
CID 54690328
[(2R)-2-[(1S)-1,2-dihydroxyethyl]-3-hydroxy-5-oxo-2H-furan-4-yl] formate
CID 118281516
[2-[(1S)-1,2-dihydroxyethyl]-3-hydroxy-5-oxo-2H-furan-4-yl] dihydrogen phosphate
CID 130404672
bis[(2R)-2-[(1S)-1,2-dihydroxyethyl]-3-hydroxy-5-oxo-2H-furan-4-yl] hydrogen phosphate
CID 165356355
(2R)-2-[(1R)-1,2-dihydroxyethyl]-3-hydroxy-4-phenylmethoxy-2H-furan-5-one
CID 70356460

Frequently Asked Questions

What is the IUPAC name of (2R)-2-hydroxy-2-[(2R)-3-hydroxy-5-oxo-4-sulfooxy-2H-furan-2-yl]acetic acid?
The IUPAC name of (2R)-2-hydroxy-2-[(2R)-3-hydroxy-5-oxo-4-sulfooxy-2H-furan-2-yl]acetic acid (CID 169442879) is (2R)-2-hydroxy-2-[(2R)-3-hydroxy-5-oxo-4-sulfooxy-2H-furan-2-yl]acetic acid.
What is the SMILES notation for (2R)-2-hydroxy-2-[(2R)-3-hydroxy-5-oxo-4-sulfooxy-2H-furan-2-yl]acetic acid?
The canonical SMILES for (2R)-2-hydroxy-2-[(2R)-3-hydroxy-5-oxo-4-sulfooxy-2H-furan-2-yl]acetic acid is O=C1O[C@H]([C@@H](O)C(=O)O)C(O)=C1OS(=O)(=O)O.
What is the InChIKey of (2R)-2-hydroxy-2-[(2R)-3-hydroxy-5-oxo-4-sulfooxy-2H-furan-2-yl]acetic acid?
The InChIKey is GGXUXURABLYBBP-GBXIJSLDSA-N. The full InChI is InChI=1S/C6H6O10S/c7-1-3(2(8)5(9)10)15-6(11)4(1)16-17(12,13)14/h2-3,7-8H,(H,9,10)(H,12,13,14)/t2-,3+/m1/s1.
What are the key properties of (2R)-2-hydroxy-2-[(2R)-3-hydroxy-5-oxo-4-sulfooxy-2H-furan-2-yl]acetic acid?
(2R)-2-hydroxy-2-[(2R)-3-hydroxy-5-oxo-4-sulfooxy-2H-furan-2-yl]acetic acid has a molecular weight of 270.17 g/mol, XLogP of -2.05, 4 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-hydroxy-2-[(2R)-3-hydroxy-5-oxo-4-sulfooxy-2H-furan-2-yl]acetic acid is sourced from PubChem (CID 169442879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).