(2S)-3,4-dihydroxy-2-(1,1,2,2-tetrahydroxyethyl)-2H-furan-5-one

C6H8O8 — CID 142655009

IUPAC(2S)-3,4-dihydroxy-2-(1,1,2,2-tetrahydroxyethyl)-2H-furan-5-one
SMILESO=C1O[C@H](C(O)(O)C(O)O)C(O)=C1O
InChIInChI=1S/C6H8O8/c7-1-2(8)4(9)14-3(1)6(12,13)5(10)11/h3,5,7-8,10-13H/t3-/m0/s1
InChIKeyRBXYAUPKNXEMRA-VKHMYHEASA-N
MW208.12 g/mol
LogP-2.77
Rot. Bonds2

About (2S)-3,4-dihydroxy-2-(1,1,2,2-tetrahydroxyethyl)-2H-furan-5-one

(2S)-3,4-dihydroxy-2-(1,1,2,2-tetrahydroxyethyl)-2H-furan-5-one (PubChem CID 142655009) has the molecular formula C6H8O8 and a molecular weight of 208.12 g/mol. Its IUPAC name is (2S)-3,4-dihydroxy-2-(1,1,2,2-tetrahydroxyethyl)-2H-furan-5-one.

Molecular Properties

Compound Name(2S)-3,4-dihydroxy-2-(1,1,2,2-tetrahydroxyethyl)-2H-furan-5-one
PubChem CID142655009
Molecular FormulaC6H8O8
Molecular Weight208.12 g/mol
Exact Mass208.02
IUPAC Name(2S)-3,4-dihydroxy-2-(1,1,2,2-tetrahydroxyethyl)-2H-furan-5-one
SMILESO=C1O[C@H](C(O)(O)C(O)O)C(O)=C1O
InChIInChI=1S/C6H8O8/c7-1-2(8)4(9)14-3(1)6(12,13)5(10)11/h3,5,7-8,10-13H/t3-/m0/s1
InChIKeyRBXYAUPKNXEMRA-VKHMYHEASA-N
XLogP-2.77
TPSA147.68 Ų
H-Bond Donors6
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500208.12
LogP ≤ 5-2.77
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze (2S)-3,4-dihydroxy-2-(1,1,2,2-tetrahydroxyethyl)-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 (2S)-3,4-dihydroxy-2-(1,1,2,2-tetrahydroxyethyl)-2H-furan-5-one?
The IUPAC name of (2S)-3,4-dihydroxy-2-(1,1,2,2-tetrahydroxyethyl)-2H-furan-5-one (CID 142655009) is (2S)-3,4-dihydroxy-2-(1,1,2,2-tetrahydroxyethyl)-2H-furan-5-one.
What is the SMILES notation for (2S)-3,4-dihydroxy-2-(1,1,2,2-tetrahydroxyethyl)-2H-furan-5-one?
The canonical SMILES for (2S)-3,4-dihydroxy-2-(1,1,2,2-tetrahydroxyethyl)-2H-furan-5-one is O=C1O[C@H](C(O)(O)C(O)O)C(O)=C1O.
What is the InChIKey of (2S)-3,4-dihydroxy-2-(1,1,2,2-tetrahydroxyethyl)-2H-furan-5-one?
The InChIKey is RBXYAUPKNXEMRA-VKHMYHEASA-N. The full InChI is InChI=1S/C6H8O8/c7-1-2(8)4(9)14-3(1)6(12,13)5(10)11/h3,5,7-8,10-13H/t3-/m0/s1.
What are the key properties of (2S)-3,4-dihydroxy-2-(1,1,2,2-tetrahydroxyethyl)-2H-furan-5-one?
(2S)-3,4-dihydroxy-2-(1,1,2,2-tetrahydroxyethyl)-2H-furan-5-one has a molecular weight of 208.12 g/mol, XLogP of -2.77, 2 rotatable bonds, 6 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3,4-dihydroxy-2-(1,1,2,2-tetrahydroxyethyl)-2H-furan-5-one is sourced from PubChem (CID 142655009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).