(2R,5S)-5-[(Z)-1,2-dihydroxyethenyl]-2,5-dihydrofuran-2,3,4-triol

C6H8O6 — CID 25271553

IUPAC(2R,5S)-5-[(Z)-1,2-dihydroxyethenyl]-2,5-dihydrofuran-2,3,4-triol
SMILESO/C=C(\O)[C@@H]1O[C@@H](O)C(O)=C1O
InChIInChI=1S/C6H8O6/c7-1-2(8)5-3(9)4(10)6(11)12-5/h1,5-11H/b2-1-/t5-,6+/m0/s1
InChIKeyYWPCUBQCZLBQLV-COEFBKBTSA-N
MW176.12 g/mol
LogP-0.01
Rot. Bonds1

About (2R,5S)-5-[(Z)-1,2-dihydroxyethenyl]-2,5-dihydrofuran-2,3,4-triol

(2R,5S)-5-[(Z)-1,2-dihydroxyethenyl]-2,5-dihydrofuran-2,3,4-triol (PubChem CID 25271553) has the molecular formula C6H8O6 and a molecular weight of 176.12 g/mol. Its IUPAC name is (2R,5S)-5-[(Z)-1,2-dihydroxyethenyl]-2,5-dihydrofuran-2,3,4-triol.

Molecular Properties

Compound Name(2R,5S)-5-[(Z)-1,2-dihydroxyethenyl]-2,5-dihydrofuran-2,3,4-triol
PubChem CID25271553
Molecular FormulaC6H8O6
Molecular Weight176.12 g/mol
Exact Mass176.03
IUPAC Name(2R,5S)-5-[(Z)-1,2-dihydroxyethenyl]-2,5-dihydrofuran-2,3,4-triol
SMILESO/C=C(\O)[C@@H]1O[C@@H](O)C(O)=C1O
InChIInChI=1S/C6H8O6/c7-1-2(8)5-3(9)4(10)6(11)12-5/h1,5-11H/b2-1-/t5-,6+/m0/s1
InChIKeyYWPCUBQCZLBQLV-COEFBKBTSA-N
XLogP-0.01
TPSA110.38 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.12
LogP ≤ 5-0.01
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2R,5S)-5-[(Z)-1,2-dihydroxyethenyl]-2,5-dihydrofuran-2,3,4-triol?
The IUPAC name of (2R,5S)-5-[(Z)-1,2-dihydroxyethenyl]-2,5-dihydrofuran-2,3,4-triol (CID 25271553) is (2R,5S)-5-[(Z)-1,2-dihydroxyethenyl]-2,5-dihydrofuran-2,3,4-triol.
What is the SMILES notation for (2R,5S)-5-[(Z)-1,2-dihydroxyethenyl]-2,5-dihydrofuran-2,3,4-triol?
The canonical SMILES for (2R,5S)-5-[(Z)-1,2-dihydroxyethenyl]-2,5-dihydrofuran-2,3,4-triol is O/C=C(\O)[C@@H]1O[C@@H](O)C(O)=C1O.
What is the InChIKey of (2R,5S)-5-[(Z)-1,2-dihydroxyethenyl]-2,5-dihydrofuran-2,3,4-triol?
The InChIKey is YWPCUBQCZLBQLV-COEFBKBTSA-N. The full InChI is InChI=1S/C6H8O6/c7-1-2(8)5-3(9)4(10)6(11)12-5/h1,5-11H/b2-1-/t5-,6+/m0/s1.
What are the key properties of (2R,5S)-5-[(Z)-1,2-dihydroxyethenyl]-2,5-dihydrofuran-2,3,4-triol?
(2R,5S)-5-[(Z)-1,2-dihydroxyethenyl]-2,5-dihydrofuran-2,3,4-triol has a molecular weight of 176.12 g/mol, XLogP of -0.01, 1 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,5S)-5-[(Z)-1,2-dihydroxyethenyl]-2,5-dihydrofuran-2,3,4-triol is sourced from PubChem (CID 25271553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).