[(5R)-5-[(1S)-1,2-dihydroxyethyl]-3,4-dioxooxolan-2-ylidene]-oxidooxidanium

C6H6O7 — CID 141418422

IUPAC[(5R)-5-[(1S)-1,2-dihydroxyethyl]-3,4-dioxooxolan-2-ylidene]-oxidooxidanium
SMILESO=C1C(=O)[C@@H]([C@@H](O)CO)O/C1=[O+]\[O-]
InChIInChI=1S/C6H6O7/c7-1-2(8)5-3(9)4(10)6(12-5)13-11/h2,5,7-8H,1H2/t2-,5+/m0/s1
InChIKeyCKFPOFAILBHXPP-JLAZNSOCSA-N
MW190.11 g/mol
LogP-3.79
Rot. Bonds2

About [(5R)-5-[(1S)-1,2-dihydroxyethyl]-3,4-dioxooxolan-2-ylidene]-oxidooxidanium

[(5R)-5-[(1S)-1,2-dihydroxyethyl]-3,4-dioxooxolan-2-ylidene]-oxidooxidanium (PubChem CID 141418422) has the molecular formula C6H6O7 and a molecular weight of 190.11 g/mol. Its IUPAC name is [(5R)-5-[(1S)-1,2-dihydroxyethyl]-3,4-dioxooxolan-2-ylidene]-oxidooxidanium.

Molecular Properties

Compound Name[(5R)-5-[(1S)-1,2-dihydroxyethyl]-3,4-dioxooxolan-2-ylidene]-oxidooxidanium
PubChem CID141418422
Molecular FormulaC6H6O7
Molecular Weight190.11 g/mol
Exact Mass190.01
IUPAC Name[(5R)-5-[(1S)-1,2-dihydroxyethyl]-3,4-dioxooxolan-2-ylidene]-oxidooxidanium
SMILESO=C1C(=O)[C@@H]([C@@H](O)CO)O/C1=[O+]\[O-]
InChIInChI=1S/C6H6O7/c7-1-2(8)5-3(9)4(10)6(12-5)13-11/h2,5,7-8H,1H2/t2-,5+/m0/s1
InChIKeyCKFPOFAILBHXPP-JLAZNSOCSA-N
XLogP-3.79
TPSA118.19 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.11
LogP ≤ 5-3.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'charged_oxygen_or_sulfur_atoms', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

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Related Compounds

(5R)-5-[(1S)-1,2-dihydroxyethyl]oxolane-2,3,4-trione;dihydrate
CID 90117374
Semidehydroascorbic acid
CID 5476732
(5R)-5-[(1R)-1,2-dihydroxyethyl]-4-hydroxyiminooxolane-2,3-dione
CID 174087762
2-(1,2-dihydroxyethyl)-4-hydroxy-5-methoxyfuran-3-one
CID 86225797
dibismuth;(2R)-2-[(1S)-1,2-dihydroxyethyl]-3,4-dihydroxy-2H-furan-5-one;trisulfate
CID 173193760
sodium (2R)-2-[(1R)-1,2-dihydroxyethyl]-4-hydroxy-5-oxo-2H-furan-3-olate
CID 23683938
bis((2R)-2-[(1S)-1,2-dihydroxyethyl]-3-hydroxy-5-oxo-2H-furan-4-olate);iron(2+)
CID 86763295
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
(5R)-5-(1,2-dihydroxyethyl)-3-hydroxy(213C)oxolane-2,4-dione
CID 71616927
sodium;(2R)-2-[(1R)-1,2-dihydroxyethyl]-4-hydroxy-5-oxo-2H-furan-3-olate;hydrate
CID 23696296
(2R)-2-[(1S)-1,2-dihydroxyethyl]-3,4-dihydroxy-2H-furan-5-one;sulfuric acid
CID 66675533
azanium (2R)-2-[(1S)-1,2-dihydroxyethyl]-3,4-dihydroxy-2H-furan-5-one
CID 54713594

Frequently Asked Questions

What is the IUPAC name of [(5R)-5-[(1S)-1,2-dihydroxyethyl]-3,4-dioxooxolan-2-ylidene]-oxidooxidanium?
The IUPAC name of [(5R)-5-[(1S)-1,2-dihydroxyethyl]-3,4-dioxooxolan-2-ylidene]-oxidooxidanium (CID 141418422) is [(5R)-5-[(1S)-1,2-dihydroxyethyl]-3,4-dioxooxolan-2-ylidene]-oxidooxidanium.
What is the SMILES notation for [(5R)-5-[(1S)-1,2-dihydroxyethyl]-3,4-dioxooxolan-2-ylidene]-oxidooxidanium?
The canonical SMILES for [(5R)-5-[(1S)-1,2-dihydroxyethyl]-3,4-dioxooxolan-2-ylidene]-oxidooxidanium is O=C1C(=O)[C@@H]([C@@H](O)CO)O/C1=[O+]\[O-].
What is the InChIKey of [(5R)-5-[(1S)-1,2-dihydroxyethyl]-3,4-dioxooxolan-2-ylidene]-oxidooxidanium?
The InChIKey is CKFPOFAILBHXPP-JLAZNSOCSA-N. The full InChI is InChI=1S/C6H6O7/c7-1-2(8)5-3(9)4(10)6(12-5)13-11/h2,5,7-8H,1H2/t2-,5+/m0/s1.
What are the key properties of [(5R)-5-[(1S)-1,2-dihydroxyethyl]-3,4-dioxooxolan-2-ylidene]-oxidooxidanium?
[(5R)-5-[(1S)-1,2-dihydroxyethyl]-3,4-dioxooxolan-2-ylidene]-oxidooxidanium has a molecular weight of 190.11 g/mol, XLogP of -3.79, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(5R)-5-[(1S)-1,2-dihydroxyethyl]-3,4-dioxooxolan-2-ylidene]-oxidooxidanium is sourced from PubChem (CID 141418422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).