(2R,3R,4S,5S,6R)-2-methyl-6-[4-methyl-2-[(4-methylphenyl)diazenyl]anilino]oxane-3,4,5-triol

C20H25N3O4 — CID 124766881

IUPAC(2R,3R,4S,5S,6R)-2-methyl-6-[4-methyl-2-[(4-methylphenyl)diazenyl]anilino]oxane-3,4,5-triol
SMILESCc1ccc(/N=N/c2cc(C)ccc2N[C@@H]2O[C@H](C)[C@H](O)[C@H](O)[C@@H]2O)cc1
InChIInChI=1S/C20H25N3O4/c1-11-4-7-14(8-5-11)22-23-16-10-12(2)6-9-15(16)21-20-19(26)18(25)17(24)13(3)27-20/h4-10,13,17-21,24-26H,1-3H3/b23-22+/t13-,17+,18+,19+,20-/m1/s1
InChIKeyYFPIVGOSXSIEFG-BPLBOKQCSA-N
MW371.44 g/mol
LogP2.96
Rot. Bonds4

About (2R,3R,4S,5S,6R)-2-methyl-6-[4-methyl-2-[(4-methylphenyl)diazenyl]anilino]oxane-3,4,5-triol

(2R,3R,4S,5S,6R)-2-methyl-6-[4-methyl-2-[(4-methylphenyl)diazenyl]anilino]oxane-3,4,5-triol (PubChem CID 124766881) has the molecular formula C20H25N3O4 and a molecular weight of 371.44 g/mol. Its IUPAC name is (2R,3R,4S,5S,6R)-2-methyl-6-[4-methyl-2-[(4-methylphenyl)diazenyl]anilino]oxane-3,4,5-triol.

Molecular Properties

Compound Name(2R,3R,4S,5S,6R)-2-methyl-6-[4-methyl-2-[(4-methylphenyl)diazenyl]anilino]oxane-3,4,5-triol
PubChem CID124766881
Molecular FormulaC20H25N3O4
Molecular Weight371.44 g/mol
Exact Mass371.18
IUPAC Name(2R,3R,4S,5S,6R)-2-methyl-6-[4-methyl-2-[(4-methylphenyl)diazenyl]anilino]oxane-3,4,5-triol
SMILESCc1ccc(/N=N/c2cc(C)ccc2N[C@@H]2O[C@H](C)[C@H](O)[C@H](O)[C@@H]2O)cc1
InChIInChI=1S/C20H25N3O4/c1-11-4-7-14(8-5-11)22-23-16-10-12(2)6-9-15(16)21-20-19(26)18(25)17(24)13(3)27-20/h4-10,13,17-21,24-26H,1-3H3/b23-22+/t13-,17+,18+,19+,20-/m1/s1
InChIKeyYFPIVGOSXSIEFG-BPLBOKQCSA-N
XLogP2.96
TPSA106.67 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.44
LogP ≤ 52.96
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

Analyze (2R,3R,4S,5S,6R)-2-methyl-6-[4-methyl-2-[(4-methylphenyl)diazenyl]anilino]oxane-3,4,5-triol with MolForge

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

Launch Full Analysis

Related Compounds

(2S,3S,4R,5R,6R)-2-methyl-6-[4-methyl-2-[(4-methylphenyl)diazenyl]anilino]oxane-3,4,5-triol
CID 7433778
(2S,3S,4R,5R,6R)-2-methyl-6-[4-methyl-3-[[(2S,3R,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]amino]anilino]oxane-3,4,5-triol
CID 162885608
(2R,3S,4S,5S,6S)-2-(4-chloro-2-nitroanilino)-6-methyloxane-3,4,5-triol
CID 7209508
(2R,3S,4S,5S,6R)-2-(4-hydroxyanilino)-6-methyloxane-3,4,5-triol
CID 7300080
(2S,3S,4R,5S,6S)-2-(4,5-dimethyl-2-nitroanilino)-6-methyloxane-3,4,5-triol
CID 7441601
2-[[(2R,3S,4S,5R,6R)-3,4,5-trihydroxy-6-methyloxan-2-yl]amino]benzoic acid
CID 51412271
4-chloro-2-[[(2R,3S,4S,5R,6R)-3,4,5-trihydroxy-6-methyloxan-2-yl]amino]benzoic acid
CID 7291295
N-[4-methyl-2-[(4-methylphenyl)diazenyl]phenyl]-4-[4-[[4-methyl-2-[(4-methylphenyl)diazenyl]phenyl]carbamoyl]phenoxy]benzamide
CID 2852723
2-cyano-N-[4-methyl-2-[(4-methylphenyl)diazenyl]phenyl]acetamide
CID 168521733
5-methyl-2-[(4-methylphenyl)diazenyl]phenol
CID 135467997
(2R,3S,4R,5R)-2-[2-[(3,4-dimethylphenyl)diazenyl]-4,5-dimethylanilino]oxane-3,4,5-triol
CID 40533213
bis(4-methylphenyl)diazene
CID 10389

Frequently Asked Questions

What is the IUPAC name of (2R,3R,4S,5S,6R)-2-methyl-6-[4-methyl-2-[(4-methylphenyl)diazenyl]anilino]oxane-3,4,5-triol?
The IUPAC name of (2R,3R,4S,5S,6R)-2-methyl-6-[4-methyl-2-[(4-methylphenyl)diazenyl]anilino]oxane-3,4,5-triol (CID 124766881) is (2R,3R,4S,5S,6R)-2-methyl-6-[4-methyl-2-[(4-methylphenyl)diazenyl]anilino]oxane-3,4,5-triol.
What is the SMILES notation for (2R,3R,4S,5S,6R)-2-methyl-6-[4-methyl-2-[(4-methylphenyl)diazenyl]anilino]oxane-3,4,5-triol?
The canonical SMILES for (2R,3R,4S,5S,6R)-2-methyl-6-[4-methyl-2-[(4-methylphenyl)diazenyl]anilino]oxane-3,4,5-triol is Cc1ccc(/N=N/c2cc(C)ccc2N[C@@H]2O[C@H](C)[C@H](O)[C@H](O)[C@@H]2O)cc1.
What is the InChIKey of (2R,3R,4S,5S,6R)-2-methyl-6-[4-methyl-2-[(4-methylphenyl)diazenyl]anilino]oxane-3,4,5-triol?
The InChIKey is YFPIVGOSXSIEFG-BPLBOKQCSA-N. The full InChI is InChI=1S/C20H25N3O4/c1-11-4-7-14(8-5-11)22-23-16-10-12(2)6-9-15(16)21-20-19(26)18(25)17(24)13(3)27-20/h4-10,13,17-21,24-26H,1-3H3/b23-22+/t13-,17+,18+,19+,20-/m1/s1.
What are the key properties of (2R,3R,4S,5S,6R)-2-methyl-6-[4-methyl-2-[(4-methylphenyl)diazenyl]anilino]oxane-3,4,5-triol?
(2R,3R,4S,5S,6R)-2-methyl-6-[4-methyl-2-[(4-methylphenyl)diazenyl]anilino]oxane-3,4,5-triol has a molecular weight of 371.44 g/mol, XLogP of 2.96, 4 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4S,5S,6R)-2-methyl-6-[4-methyl-2-[(4-methylphenyl)diazenyl]anilino]oxane-3,4,5-triol is sourced from PubChem (CID 124766881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).