azanium (2R)-2-[(1S)-1,2-dihydroxyethyl]-3,4-dihydroxy-2H-furan-5-one

C6H12NO6+ — CID 54713594

IUPACazanium (2R)-2-[(1S)-1,2-dihydroxyethyl]-3,4-dihydroxy-2H-furan-5-one
SMILESO=C1O[C@H]([C@@H](O)CO)C(O)=C1O.[NH4+]
InChIInChI=1S/C6H8O6.H3N/c7-1-2(8)5-3(9)4(10)6(11)12-5;/h2,5,7-10H,1H2;1H3/p+1/t2-,5+;/m0./s1
InChIKeyQKWNIOMGXBERHJ-RXSVEWSESA-O
MW194.16 g/mol
LogP-1.03
Rot. Bonds2

About azanium (2R)-2-[(1S)-1,2-dihydroxyethyl]-3,4-dihydroxy-2H-furan-5-one

azanium (2R)-2-[(1S)-1,2-dihydroxyethyl]-3,4-dihydroxy-2H-furan-5-one (PubChem CID 54713594) has the molecular formula C6H12NO6+ and a molecular weight of 194.16 g/mol. Its IUPAC name is azanium (2R)-2-[(1S)-1,2-dihydroxyethyl]-3,4-dihydroxy-2H-furan-5-one.

Molecular Properties

Compound Nameazanium (2R)-2-[(1S)-1,2-dihydroxyethyl]-3,4-dihydroxy-2H-furan-5-one
PubChem CID54713594
Molecular FormulaC6H12NO6+
Molecular Weight194.16 g/mol
Exact Mass194.07
IUPAC Nameazanium (2R)-2-[(1S)-1,2-dihydroxyethyl]-3,4-dihydroxy-2H-furan-5-one
SMILESO=C1O[C@H]([C@@H](O)CO)C(O)=C1O.[NH4+]
InChIInChI=1S/C6H8O6.H3N/c7-1-2(8)5-3(9)4(10)6(11)12-5;/h2,5,7-10H,1H2;1H3/p+1/t2-,5+;/m0./s1
InChIKeyQKWNIOMGXBERHJ-RXSVEWSESA-O
XLogP-1.03
TPSA143.72 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.16
LogP ≤ 5-1.03
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of azanium (2R)-2-[(1S)-1,2-dihydroxyethyl]-3,4-dihydroxy-2H-furan-5-one?
The IUPAC name of azanium (2R)-2-[(1S)-1,2-dihydroxyethyl]-3,4-dihydroxy-2H-furan-5-one (CID 54713594) is azanium (2R)-2-[(1S)-1,2-dihydroxyethyl]-3,4-dihydroxy-2H-furan-5-one.
What is the SMILES notation for azanium (2R)-2-[(1S)-1,2-dihydroxyethyl]-3,4-dihydroxy-2H-furan-5-one?
The canonical SMILES for azanium (2R)-2-[(1S)-1,2-dihydroxyethyl]-3,4-dihydroxy-2H-furan-5-one is O=C1O[C@H]([C@@H](O)CO)C(O)=C1O.[NH4+].
What is the InChIKey of azanium (2R)-2-[(1S)-1,2-dihydroxyethyl]-3,4-dihydroxy-2H-furan-5-one?
The InChIKey is QKWNIOMGXBERHJ-RXSVEWSESA-O. The full InChI is InChI=1S/C6H8O6.H3N/c7-1-2(8)5-3(9)4(10)6(11)12-5;/h2,5,7-10H,1H2;1H3/p+1/t2-,5+;/m0./s1.
What are the key properties of azanium (2R)-2-[(1S)-1,2-dihydroxyethyl]-3,4-dihydroxy-2H-furan-5-one?
azanium (2R)-2-[(1S)-1,2-dihydroxyethyl]-3,4-dihydroxy-2H-furan-5-one has a molecular weight of 194.16 g/mol, XLogP of -1.03, 2 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for azanium (2R)-2-[(1S)-1,2-dihydroxyethyl]-3,4-dihydroxy-2H-furan-5-one is sourced from PubChem (CID 54713594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).