2-[(1S)-1,2-dihydroxyethyl]-3,4-dihydroxy-2H-furan-5-one;N-(4-hydroxyphenyl)acetamide

C14H17NO8 — CID 54695506

IUPAC2-[(1S)-1,2-dihydroxyethyl]-3,4-dihydroxy-2H-furan-5-one;N-(4-hydroxyphenyl)acetamide
SMILESCC(=O)Nc1ccc(O)cc1.O=C1OC([C@@H](O)CO)C(O)=C1O
InChIInChI=1S/C8H9NO2.C6H8O6/c1-6(10)9-7-2-4-8(11)5-3-7;7-1-2(8)5-3(9)4(10)6(11)12-5/h2-5,11H,1H3,(H,9,10);2,5,7-10H,1H2/t;2-,5?/m.0/s1
InChIKeyHELXRYBDWVFIHB-XHRAKXRYSA-N
MW327.29 g/mol
LogP-0.06
Rot. Bonds3

About 2-[(1S)-1,2-dihydroxyethyl]-3,4-dihydroxy-2H-furan-5-one;N-(4-hydroxyphenyl)acetamide

2-[(1S)-1,2-dihydroxyethyl]-3,4-dihydroxy-2H-furan-5-one;N-(4-hydroxyphenyl)acetamide (PubChem CID 54695506) has the molecular formula C14H17NO8 and a molecular weight of 327.29 g/mol. Its IUPAC name is 2-[(1S)-1,2-dihydroxyethyl]-3,4-dihydroxy-2H-furan-5-one;N-(4-hydroxyphenyl)acetamide.

Molecular Properties

Compound Name2-[(1S)-1,2-dihydroxyethyl]-3,4-dihydroxy-2H-furan-5-one;N-(4-hydroxyphenyl)acetamide
PubChem CID54695506
Molecular FormulaC14H17NO8
Molecular Weight327.29 g/mol
Exact Mass327.10
IUPAC Name2-[(1S)-1,2-dihydroxyethyl]-3,4-dihydroxy-2H-furan-5-one;N-(4-hydroxyphenyl)acetamide
SMILESCC(=O)Nc1ccc(O)cc1.O=C1OC([C@@H](O)CO)C(O)=C1O
InChIInChI=1S/C8H9NO2.C6H8O6/c1-6(10)9-7-2-4-8(11)5-3-7;7-1-2(8)5-3(9)4(10)6(11)12-5/h2-5,11H,1H3,(H,9,10);2,5,7-10H,1H2/t;2-,5?/m.0/s1
InChIKeyHELXRYBDWVFIHB-XHRAKXRYSA-N
XLogP-0.06
TPSA156.55 Ų
H-Bond Donors6
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500327.29
LogP ≤ 5-0.06
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[(1S)-1,2-dihydroxyethyl]-3,4-dihydroxy-2H-furan-5-one;N-(4-hydroxyphenyl)acetamide?
The IUPAC name of 2-[(1S)-1,2-dihydroxyethyl]-3,4-dihydroxy-2H-furan-5-one;N-(4-hydroxyphenyl)acetamide (CID 54695506) is 2-[(1S)-1,2-dihydroxyethyl]-3,4-dihydroxy-2H-furan-5-one;N-(4-hydroxyphenyl)acetamide.
What is the SMILES notation for 2-[(1S)-1,2-dihydroxyethyl]-3,4-dihydroxy-2H-furan-5-one;N-(4-hydroxyphenyl)acetamide?
The canonical SMILES for 2-[(1S)-1,2-dihydroxyethyl]-3,4-dihydroxy-2H-furan-5-one;N-(4-hydroxyphenyl)acetamide is CC(=O)Nc1ccc(O)cc1.O=C1OC([C@@H](O)CO)C(O)=C1O.
What is the InChIKey of 2-[(1S)-1,2-dihydroxyethyl]-3,4-dihydroxy-2H-furan-5-one;N-(4-hydroxyphenyl)acetamide?
The InChIKey is HELXRYBDWVFIHB-XHRAKXRYSA-N. The full InChI is InChI=1S/C8H9NO2.C6H8O6/c1-6(10)9-7-2-4-8(11)5-3-7;7-1-2(8)5-3(9)4(10)6(11)12-5/h2-5,11H,1H3,(H,9,10);2,5,7-10H,1H2/t;2-,5?/m.0/s1.
What are the key properties of 2-[(1S)-1,2-dihydroxyethyl]-3,4-dihydroxy-2H-furan-5-one;N-(4-hydroxyphenyl)acetamide?
2-[(1S)-1,2-dihydroxyethyl]-3,4-dihydroxy-2H-furan-5-one;N-(4-hydroxyphenyl)acetamide has a molecular weight of 327.29 g/mol, XLogP of -0.06, 3 rotatable bonds, 6 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1S)-1,2-dihydroxyethyl]-3,4-dihydroxy-2H-furan-5-one;N-(4-hydroxyphenyl)acetamide is sourced from PubChem (CID 54695506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).