(2R)-2-[(1S)-1,2-dihydroxyethyl]-3-[(2,2-dioxo-1,3,2,4-dioxathiastibetan-4-yl)oxy]-4-hydroxy-2H-furan-5-one

C6H7O10SSb — CID 141231740

IUPAC(2R)-2-[(1S)-1,2-dihydroxyethyl]-3-[(2,2-dioxo-1,3,2,4-dioxathiastibetan-4-yl)oxy]-4-hydroxy-2H-furan-5-one
SMILESO=C1O[C@H]([C@@H](O)CO)C(O[Sb]2OS(=O)(=O)O2)=C1O
InChIInChI=1S/C6H8O6.H2O4S.Sb/c7-1-2(8)5-3(9)4(10)6(11)12-5;1-5(2,3)4;/h2,5,7-10H,1H2;(H2,1,2,3,4);/q;;+3/p-3/t2-,5+;;/m0../s1
InChIKeySSSRCFYCVLMGKZ-PQYRJTSOSA-K
MW392.94 g/mol
LogP-2.67
Rot. Bonds4

About (2R)-2-[(1S)-1,2-dihydroxyethyl]-3-[(2,2-dioxo-1,3,2,4-dioxathiastibetan-4-yl)oxy]-4-hydroxy-2H-furan-5-one

(2R)-2-[(1S)-1,2-dihydroxyethyl]-3-[(2,2-dioxo-1,3,2,4-dioxathiastibetan-4-yl)oxy]-4-hydroxy-2H-furan-5-one (PubChem CID 141231740) has the molecular formula C6H7O10SSb and a molecular weight of 392.94 g/mol. Its IUPAC name is (2R)-2-[(1S)-1,2-dihydroxyethyl]-3-[(2,2-dioxo-1,3,2,4-dioxathiastibetan-4-yl)oxy]-4-hydroxy-2H-furan-5-one.

Molecular Properties

Compound Name(2R)-2-[(1S)-1,2-dihydroxyethyl]-3-[(2,2-dioxo-1,3,2,4-dioxathiastibetan-4-yl)oxy]-4-hydroxy-2H-furan-5-one
PubChem CID141231740
Molecular FormulaC6H7O10SSb
Molecular Weight392.94 g/mol
Exact Mass391.88
IUPAC Name(2R)-2-[(1S)-1,2-dihydroxyethyl]-3-[(2,2-dioxo-1,3,2,4-dioxathiastibetan-4-yl)oxy]-4-hydroxy-2H-furan-5-one
SMILESO=C1O[C@H]([C@@H](O)CO)C(O[Sb]2OS(=O)(=O)O2)=C1O
InChIInChI=1S/C6H8O6.H2O4S.Sb/c7-1-2(8)5-3(9)4(10)6(11)12-5;1-5(2,3)4;/h2,5,7-10H,1H2;(H2,1,2,3,4);/q;;+3/p-3/t2-,5+;;/m0../s1
InChIKeySSSRCFYCVLMGKZ-PQYRJTSOSA-K
XLogP-2.67
TPSA148.82 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.94
LogP ≤ 5-2.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

Analyze (2R)-2-[(1S)-1,2-dihydroxyethyl]-3-[(2,2-dioxo-1,3,2,4-dioxathiastibetan-4-yl)oxy]-4-hydroxy-2H-furan-5-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(1S)-1,2-dihydroxyethyl]-3-[(2,2-dioxo-1,3,2,4-dioxathiastibetan-4-yl)oxy]-4-hydroxy-2H-furan-5-one?
The IUPAC name of (2R)-2-[(1S)-1,2-dihydroxyethyl]-3-[(2,2-dioxo-1,3,2,4-dioxathiastibetan-4-yl)oxy]-4-hydroxy-2H-furan-5-one (CID 141231740) is (2R)-2-[(1S)-1,2-dihydroxyethyl]-3-[(2,2-dioxo-1,3,2,4-dioxathiastibetan-4-yl)oxy]-4-hydroxy-2H-furan-5-one.
What is the SMILES notation for (2R)-2-[(1S)-1,2-dihydroxyethyl]-3-[(2,2-dioxo-1,3,2,4-dioxathiastibetan-4-yl)oxy]-4-hydroxy-2H-furan-5-one?
The canonical SMILES for (2R)-2-[(1S)-1,2-dihydroxyethyl]-3-[(2,2-dioxo-1,3,2,4-dioxathiastibetan-4-yl)oxy]-4-hydroxy-2H-furan-5-one is O=C1O[C@H]([C@@H](O)CO)C(O[Sb]2OS(=O)(=O)O2)=C1O.
What is the InChIKey of (2R)-2-[(1S)-1,2-dihydroxyethyl]-3-[(2,2-dioxo-1,3,2,4-dioxathiastibetan-4-yl)oxy]-4-hydroxy-2H-furan-5-one?
The InChIKey is SSSRCFYCVLMGKZ-PQYRJTSOSA-K. The full InChI is InChI=1S/C6H8O6.H2O4S.Sb/c7-1-2(8)5-3(9)4(10)6(11)12-5;1-5(2,3)4;/h2,5,7-10H,1H2;(H2,1,2,3,4);/q;;+3/p-3/t2-,5+;;/m0../s1.
What are the key properties of (2R)-2-[(1S)-1,2-dihydroxyethyl]-3-[(2,2-dioxo-1,3,2,4-dioxathiastibetan-4-yl)oxy]-4-hydroxy-2H-furan-5-one?
(2R)-2-[(1S)-1,2-dihydroxyethyl]-3-[(2,2-dioxo-1,3,2,4-dioxathiastibetan-4-yl)oxy]-4-hydroxy-2H-furan-5-one has a molecular weight of 392.94 g/mol, XLogP of -2.67, 4 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(1S)-1,2-dihydroxyethyl]-3-[(2,2-dioxo-1,3,2,4-dioxathiastibetan-4-yl)oxy]-4-hydroxy-2H-furan-5-one is sourced from PubChem (CID 141231740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).