(2R)-2-[(2R)-3,4-dihydroxy-5-oxo-2H-furan-2-yl]-1,2-dihydroxyethane-1,1-disulfonic acid

C6H8O12S2 — CID 139824354

IUPAC(2R)-2-[(2R)-3,4-dihydroxy-5-oxo-2H-furan-2-yl]-1,2-dihydroxyethane-1,1-disulfonic acid
SMILESO=C1O[C@H]([C@@H](O)C(O)(S(=O)(=O)O)S(=O)(=O)O)C(O)=C1O
InChIInChI=1S/C6H8O12S2/c7-1-2(8)5(10)18-3(1)4(9)6(11,19(12,13)14)20(15,16)17/h3-4,7-9,11H,(H,12,13,14)(H,15,16,17)/t3-,4+/m0/s1
InChIKeyYADALNNSUWLZRO-IUYQGCFVSA-N
MW336.25 g/mol
LogP-2.98
Rot. Bonds4

About (2R)-2-[(2R)-3,4-dihydroxy-5-oxo-2H-furan-2-yl]-1,2-dihydroxyethane-1,1-disulfonic acid

(2R)-2-[(2R)-3,4-dihydroxy-5-oxo-2H-furan-2-yl]-1,2-dihydroxyethane-1,1-disulfonic acid (PubChem CID 139824354) has the molecular formula C6H8O12S2 and a molecular weight of 336.25 g/mol. Its IUPAC name is (2R)-2-[(2R)-3,4-dihydroxy-5-oxo-2H-furan-2-yl]-1,2-dihydroxyethane-1,1-disulfonic acid.

Molecular Properties

Compound Name(2R)-2-[(2R)-3,4-dihydroxy-5-oxo-2H-furan-2-yl]-1,2-dihydroxyethane-1,1-disulfonic acid
PubChem CID139824354
Molecular FormulaC6H8O12S2
Molecular Weight336.25 g/mol
Exact Mass335.95
IUPAC Name(2R)-2-[(2R)-3,4-dihydroxy-5-oxo-2H-furan-2-yl]-1,2-dihydroxyethane-1,1-disulfonic acid
SMILESO=C1O[C@H]([C@@H](O)C(O)(S(=O)(=O)O)S(=O)(=O)O)C(O)=C1O
InChIInChI=1S/C6H8O12S2/c7-1-2(8)5(10)18-3(1)4(9)6(11,19(12,13)14)20(15,16)17/h3-4,7-9,11H,(H,12,13,14)(H,15,16,17)/t3-,4+/m0/s1
InChIKeyYADALNNSUWLZRO-IUYQGCFVSA-N
XLogP-2.98
TPSA215.96 Ų
H-Bond Donors6
H-Bond Acceptors10
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500336.25
LogP ≤ 5-2.98
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

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Launch Full Analysis

Related Compounds

(2R)-2-[(1S)-1,2-dihydroxyethyl]-3,4-dihydroxy-2H-furan-5-one;sulfuric acid
CID 66675533
(2R)-2-[(1S)-1,2-dihydroxyethyl]-3,4-dihydroxy-2H-furan-5-one;methanedisulfonic acid
CID 174954418
2-(1,2-dihydroxyethyl)-3,4-dihydroxy-2H-furan-5-one;(2R)-2-[(1S)-1,2-dihydroxyethyl]-3,4-dihydroxy-2H-furan-5-one
CID 176549717
dibismuth;(2R)-2-[(1S)-1,2-dihydroxyethyl]-3,4-dihydroxy-2H-furan-5-one;trisulfate
CID 173193760
azanium (2R)-2-[(1S)-1,2-dihydroxyethyl]-3,4-dihydroxy-2H-furan-5-one
CID 54713594
2-(2-amino-1-hydroxyethyl)-3,4-dihydroxy-2H-furan-5-one
CID 54717306
CID 175868978
CID 175868978
sodium (2R)-2-[(1R)-1,2-dihydroxyethyl]-3,4-dihydroxy-2H-furan-5-one
CID 54719295
(2R)-2-[(1S)-1,2-dihydroxyethyl]-3,4-dihydroxy-2H-furan-5-one;molecular chlorine
CID 141150592
trisodium;(2R)-2-[(1S)-1,2-dihydroxyethyl]-3,4-dihydroxy-2H-furan-5-one;hydride
CID 173003936
(2R)-2-[(1R)-1,2-dihydroxy-3-methylbut-2-enyl]-3,4-dihydroxy-2H-furan-5-one
CID 68975358
(2R)-2-(1,2-dihydroxyethyl)-3,4-dihydroxy-2H-furan-5-one;phosphoric acid
CID 174800617

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(2R)-3,4-dihydroxy-5-oxo-2H-furan-2-yl]-1,2-dihydroxyethane-1,1-disulfonic acid?
The IUPAC name of (2R)-2-[(2R)-3,4-dihydroxy-5-oxo-2H-furan-2-yl]-1,2-dihydroxyethane-1,1-disulfonic acid (CID 139824354) is (2R)-2-[(2R)-3,4-dihydroxy-5-oxo-2H-furan-2-yl]-1,2-dihydroxyethane-1,1-disulfonic acid.
What is the SMILES notation for (2R)-2-[(2R)-3,4-dihydroxy-5-oxo-2H-furan-2-yl]-1,2-dihydroxyethane-1,1-disulfonic acid?
The canonical SMILES for (2R)-2-[(2R)-3,4-dihydroxy-5-oxo-2H-furan-2-yl]-1,2-dihydroxyethane-1,1-disulfonic acid is O=C1O[C@H]([C@@H](O)C(O)(S(=O)(=O)O)S(=O)(=O)O)C(O)=C1O.
What is the InChIKey of (2R)-2-[(2R)-3,4-dihydroxy-5-oxo-2H-furan-2-yl]-1,2-dihydroxyethane-1,1-disulfonic acid?
The InChIKey is YADALNNSUWLZRO-IUYQGCFVSA-N. The full InChI is InChI=1S/C6H8O12S2/c7-1-2(8)5(10)18-3(1)4(9)6(11,19(12,13)14)20(15,16)17/h3-4,7-9,11H,(H,12,13,14)(H,15,16,17)/t3-,4+/m0/s1.
What are the key properties of (2R)-2-[(2R)-3,4-dihydroxy-5-oxo-2H-furan-2-yl]-1,2-dihydroxyethane-1,1-disulfonic acid?
(2R)-2-[(2R)-3,4-dihydroxy-5-oxo-2H-furan-2-yl]-1,2-dihydroxyethane-1,1-disulfonic acid has a molecular weight of 336.25 g/mol, XLogP of -2.98, 4 rotatable bonds, 6 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(2R)-3,4-dihydroxy-5-oxo-2H-furan-2-yl]-1,2-dihydroxyethane-1,1-disulfonic acid is sourced from PubChem (CID 139824354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).