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

C13H17NO7 — CID 70519997

IUPAC(2R)-2-[(1S)-1,2-dihydroxyethyl]-3,4-dihydroxy-2H-furan-5-one;4-(methylamino)phenol
SMILESCNc1ccc(O)cc1.O=C1O[C@H]([C@@H](O)CO)C(O)=C1O
InChIInChI=1S/C7H9NO.C6H8O6/c1-8-6-2-4-7(9)5-3-6;7-1-2(8)5-3(9)4(10)6(11)12-5/h2-5,8-9H,1H3;2,5,7-10H,1H2/t;2-,5+/m.0/s1
InChIKeyLELOSUUWMPCMEY-MGMRMFRLSA-N
MW299.28 g/mol
LogP0.03
Rot. Bonds3

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

(2R)-2-[(1S)-1,2-dihydroxyethyl]-3,4-dihydroxy-2H-furan-5-one;4-(methylamino)phenol (PubChem CID 70519997) has the molecular formula C13H17NO7 and a molecular weight of 299.28 g/mol. Its IUPAC name is (2R)-2-[(1S)-1,2-dihydroxyethyl]-3,4-dihydroxy-2H-furan-5-one;4-(methylamino)phenol.

Molecular Properties

Compound Name(2R)-2-[(1S)-1,2-dihydroxyethyl]-3,4-dihydroxy-2H-furan-5-one;4-(methylamino)phenol
PubChem CID70519997
Molecular FormulaC13H17NO7
Molecular Weight299.28 g/mol
Exact Mass299.10
IUPAC Name(2R)-2-[(1S)-1,2-dihydroxyethyl]-3,4-dihydroxy-2H-furan-5-one;4-(methylamino)phenol
SMILESCNc1ccc(O)cc1.O=C1O[C@H]([C@@H](O)CO)C(O)=C1O
InChIInChI=1S/C7H9NO.C6H8O6/c1-8-6-2-4-7(9)5-3-6;7-1-2(8)5-3(9)4(10)6(11)12-5/h2-5,8-9H,1H3;2,5,7-10H,1H2/t;2-,5+/m.0/s1
InChIKeyLELOSUUWMPCMEY-MGMRMFRLSA-N
XLogP0.03
TPSA139.48 Ų
H-Bond Donors6
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500299.28
LogP ≤ 50.03
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze (2R)-2-[(1S)-1,2-dihydroxyethyl]-3,4-dihydroxy-2H-furan-5-one;4-(methylamino)phenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(1S)-1,2-dihydroxyethyl]-3,4-dihydroxy-2H-furan-5-one;4-(methylamino)phenol?
The IUPAC name of (2R)-2-[(1S)-1,2-dihydroxyethyl]-3,4-dihydroxy-2H-furan-5-one;4-(methylamino)phenol (CID 70519997) is (2R)-2-[(1S)-1,2-dihydroxyethyl]-3,4-dihydroxy-2H-furan-5-one;4-(methylamino)phenol.
What is the SMILES notation for (2R)-2-[(1S)-1,2-dihydroxyethyl]-3,4-dihydroxy-2H-furan-5-one;4-(methylamino)phenol?
The canonical SMILES for (2R)-2-[(1S)-1,2-dihydroxyethyl]-3,4-dihydroxy-2H-furan-5-one;4-(methylamino)phenol is CNc1ccc(O)cc1.O=C1O[C@H]([C@@H](O)CO)C(O)=C1O.
What is the InChIKey of (2R)-2-[(1S)-1,2-dihydroxyethyl]-3,4-dihydroxy-2H-furan-5-one;4-(methylamino)phenol?
The InChIKey is LELOSUUWMPCMEY-MGMRMFRLSA-N. The full InChI is InChI=1S/C7H9NO.C6H8O6/c1-8-6-2-4-7(9)5-3-6;7-1-2(8)5-3(9)4(10)6(11)12-5/h2-5,8-9H,1H3;2,5,7-10H,1H2/t;2-,5+/m.0/s1.
What are the key properties of (2R)-2-[(1S)-1,2-dihydroxyethyl]-3,4-dihydroxy-2H-furan-5-one;4-(methylamino)phenol?
(2R)-2-[(1S)-1,2-dihydroxyethyl]-3,4-dihydroxy-2H-furan-5-one;4-(methylamino)phenol has a molecular weight of 299.28 g/mol, XLogP of 0.03, 3 rotatable bonds, 6 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(1S)-1,2-dihydroxyethyl]-3,4-dihydroxy-2H-furan-5-one;4-(methylamino)phenol is sourced from PubChem (CID 70519997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).