(5R)-5-[(1R)-1,2-dihydroxyethyl]-4-hydroxyiminooxolane-2,3-dione

C6H7NO6 — CID 174087762

IUPAC(5R)-5-[(1R)-1,2-dihydroxyethyl]-4-hydroxyiminooxolane-2,3-dione
SMILESO=C1O[C@@H]([C@H](O)CO)C(=NO)C1=O
InChIInChI=1S/C6H7NO6/c8-1-2(9)5-3(7-12)4(10)6(11)13-5/h2,5,8-9,12H,1H2/t2-,5+/m1/s1
InChIKeyCFUQZCKHHBDCOT-MVHIGOERSA-N
MW189.12 g/mol
LogP-2.34
Rot. Bonds2

About (5R)-5-[(1R)-1,2-dihydroxyethyl]-4-hydroxyiminooxolane-2,3-dione

(5R)-5-[(1R)-1,2-dihydroxyethyl]-4-hydroxyiminooxolane-2,3-dione (PubChem CID 174087762) has the molecular formula C6H7NO6 and a molecular weight of 189.12 g/mol. Its IUPAC name is (5R)-5-[(1R)-1,2-dihydroxyethyl]-4-hydroxyiminooxolane-2,3-dione.

Molecular Properties

Compound Name(5R)-5-[(1R)-1,2-dihydroxyethyl]-4-hydroxyiminooxolane-2,3-dione
PubChem CID174087762
Molecular FormulaC6H7NO6
Molecular Weight189.12 g/mol
Exact Mass189.03
IUPAC Name(5R)-5-[(1R)-1,2-dihydroxyethyl]-4-hydroxyiminooxolane-2,3-dione
SMILESO=C1O[C@@H]([C@H](O)CO)C(=NO)C1=O
InChIInChI=1S/C6H7NO6/c8-1-2(9)5-3(7-12)4(10)6(11)13-5/h2,5,8-9,12H,1H2/t2-,5+/m1/s1
InChIKeyCFUQZCKHHBDCOT-MVHIGOERSA-N
XLogP-2.34
TPSA116.42 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.12
LogP ≤ 5-2.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(3E,4Z)-5-(1,2-dihydroxyethyl)-3-hydrazinylidene-4-hydroxyiminooxolan-2-one
CID 144865736
(5R)-5-[(1S)-1,2-dihydroxyethyl]oxolane-2,3,4-trione;dihydrate
CID 90117374
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
azanium (2R)-2-[(1S)-1,2-dihydroxyethyl]-3,4-dihydroxy-2H-furan-5-one
CID 54713594
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;sulfuric acid
CID 66675533
trisodium;(2R)-2-[(1S)-1,2-dihydroxyethyl]-3,4-dihydroxy-2H-furan-5-one;hydride
CID 173003936
(2R)-2-[(1S)-1,2-dihydroxyethyl]-3,4-dihydroxy-2H-furan-5-one;molecular chlorine
CID 141150592
dibismuth;(2R)-2-[(1S)-1,2-dihydroxyethyl]-3,4-dihydroxy-2H-furan-5-one;trisulfate
CID 173193760
(3E,4E,5R)-5-[(1R)-1,2-dihydroxyethyl]-3,4-bis(phenylhydrazinylidene)oxolan-2-one
CID 51562675
(3E,4E,5R)-5-[(1S)-1,2-dihydroxyethyl]-3,4-bis(phenylhydrazinylidene)oxolan-2-one
CID 51562676

Frequently Asked Questions

What is the IUPAC name of (5R)-5-[(1R)-1,2-dihydroxyethyl]-4-hydroxyiminooxolane-2,3-dione?
The IUPAC name of (5R)-5-[(1R)-1,2-dihydroxyethyl]-4-hydroxyiminooxolane-2,3-dione (CID 174087762) is (5R)-5-[(1R)-1,2-dihydroxyethyl]-4-hydroxyiminooxolane-2,3-dione.
What is the SMILES notation for (5R)-5-[(1R)-1,2-dihydroxyethyl]-4-hydroxyiminooxolane-2,3-dione?
The canonical SMILES for (5R)-5-[(1R)-1,2-dihydroxyethyl]-4-hydroxyiminooxolane-2,3-dione is O=C1O[C@@H]([C@H](O)CO)C(=NO)C1=O.
What is the InChIKey of (5R)-5-[(1R)-1,2-dihydroxyethyl]-4-hydroxyiminooxolane-2,3-dione?
The InChIKey is CFUQZCKHHBDCOT-MVHIGOERSA-N. The full InChI is InChI=1S/C6H7NO6/c8-1-2(9)5-3(7-12)4(10)6(11)13-5/h2,5,8-9,12H,1H2/t2-,5+/m1/s1.
What are the key properties of (5R)-5-[(1R)-1,2-dihydroxyethyl]-4-hydroxyiminooxolane-2,3-dione?
(5R)-5-[(1R)-1,2-dihydroxyethyl]-4-hydroxyiminooxolane-2,3-dione has a molecular weight of 189.12 g/mol, XLogP of -2.34, 2 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-[(1R)-1,2-dihydroxyethyl]-4-hydroxyiminooxolane-2,3-dione is sourced from PubChem (CID 174087762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).