2-[[(2R)-2-[(1S)-1,2-dihydroxyethyl]-4-hydroxy-5-oxo-2H-furan-3-yl]oxy]ethyl-trimethylazanium

C11H20NO6+ — CID 163190340

IUPAC2-[[(2R)-2-[(1S)-1,2-dihydroxyethyl]-4-hydroxy-5-oxo-2H-furan-3-yl]oxy]ethyl-trimethylazanium
SMILESC[N+](C)(C)CCOC1=C(O)C(=O)O[C@@H]1[C@@H](O)CO
InChIInChI=1S/C11H19NO6/c1-12(2,3)4-5-17-10-8(15)11(16)18-9(10)7(14)6-13/h7,9,13-14H,4-6H2,1-3H3/p+1/t7-,9+/m0/s1
InChIKeyMYGGOEXXVGUJNF-IONNQARKSA-O
MW262.28 g/mol
LogP-1.24
Rot. Bonds6

About 2-[[(2R)-2-[(1S)-1,2-dihydroxyethyl]-4-hydroxy-5-oxo-2H-furan-3-yl]oxy]ethyl-trimethylazanium

2-[[(2R)-2-[(1S)-1,2-dihydroxyethyl]-4-hydroxy-5-oxo-2H-furan-3-yl]oxy]ethyl-trimethylazanium (PubChem CID 163190340) has the molecular formula C11H20NO6+ and a molecular weight of 262.28 g/mol. Its IUPAC name is 2-[[(2R)-2-[(1S)-1,2-dihydroxyethyl]-4-hydroxy-5-oxo-2H-furan-3-yl]oxy]ethyl-trimethylazanium.

Molecular Properties

Compound Name2-[[(2R)-2-[(1S)-1,2-dihydroxyethyl]-4-hydroxy-5-oxo-2H-furan-3-yl]oxy]ethyl-trimethylazanium
PubChem CID163190340
Molecular FormulaC11H20NO6+
Molecular Weight262.28 g/mol
Exact Mass262.13
IUPAC Name2-[[(2R)-2-[(1S)-1,2-dihydroxyethyl]-4-hydroxy-5-oxo-2H-furan-3-yl]oxy]ethyl-trimethylazanium
SMILESC[N+](C)(C)CCOC1=C(O)C(=O)O[C@@H]1[C@@H](O)CO
InChIInChI=1S/C11H19NO6/c1-12(2,3)4-5-17-10-8(15)11(16)18-9(10)7(14)6-13/h7,9,13-14H,4-6H2,1-3H3/p+1/t7-,9+/m0/s1
InChIKeyMYGGOEXXVGUJNF-IONNQARKSA-O
XLogP-1.24
TPSA96.22 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.28
LogP ≤ 5-1.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[[(2R)-2-[(1S)-1,2-dihydroxyethyl]-4-hydroxy-5-oxo-2H-furan-3-yl]oxy]ethyl-trimethylazanium?
The IUPAC name of 2-[[(2R)-2-[(1S)-1,2-dihydroxyethyl]-4-hydroxy-5-oxo-2H-furan-3-yl]oxy]ethyl-trimethylazanium (CID 163190340) is 2-[[(2R)-2-[(1S)-1,2-dihydroxyethyl]-4-hydroxy-5-oxo-2H-furan-3-yl]oxy]ethyl-trimethylazanium.
What is the SMILES notation for 2-[[(2R)-2-[(1S)-1,2-dihydroxyethyl]-4-hydroxy-5-oxo-2H-furan-3-yl]oxy]ethyl-trimethylazanium?
The canonical SMILES for 2-[[(2R)-2-[(1S)-1,2-dihydroxyethyl]-4-hydroxy-5-oxo-2H-furan-3-yl]oxy]ethyl-trimethylazanium is C[N+](C)(C)CCOC1=C(O)C(=O)O[C@@H]1[C@@H](O)CO.
What is the InChIKey of 2-[[(2R)-2-[(1S)-1,2-dihydroxyethyl]-4-hydroxy-5-oxo-2H-furan-3-yl]oxy]ethyl-trimethylazanium?
The InChIKey is MYGGOEXXVGUJNF-IONNQARKSA-O. The full InChI is InChI=1S/C11H19NO6/c1-12(2,3)4-5-17-10-8(15)11(16)18-9(10)7(14)6-13/h7,9,13-14H,4-6H2,1-3H3/p+1/t7-,9+/m0/s1.
What are the key properties of 2-[[(2R)-2-[(1S)-1,2-dihydroxyethyl]-4-hydroxy-5-oxo-2H-furan-3-yl]oxy]ethyl-trimethylazanium?
2-[[(2R)-2-[(1S)-1,2-dihydroxyethyl]-4-hydroxy-5-oxo-2H-furan-3-yl]oxy]ethyl-trimethylazanium has a molecular weight of 262.28 g/mol, XLogP of -1.24, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2R)-2-[(1S)-1,2-dihydroxyethyl]-4-hydroxy-5-oxo-2H-furan-3-yl]oxy]ethyl-trimethylazanium is sourced from PubChem (CID 163190340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).