(2R,3S,4R)-5-(3,4-dimethyl-2-phenyldiazenylanilino)pentane-1,2,3,4-tetrol

C19H25N3O4 — CID 7452612

IUPAC(2R,3S,4R)-5-(3,4-dimethyl-2-phenyldiazenylanilino)pentane-1,2,3,4-tetrol
SMILESCc1ccc(NC[C@@H](O)[C@H](O)[C@H](O)CO)c(/N=N/c2ccccc2)c1C
InChIInChI=1S/C19H25N3O4/c1-12-8-9-15(20-10-16(24)19(26)17(25)11-23)18(13(12)2)22-21-14-6-4-3-5-7-14/h3-9,16-17,19-20,23-26H,10-11H2,1-2H3/b22-21+/t16-,17-,19+/m1/s1
InChIKeyBVMBLTCSAVCYFW-JWLZUPGLSA-N
MW359.43 g/mol
LogP2.21
Rot. Bonds8

About (2R,3S,4R)-5-(3,4-dimethyl-2-phenyldiazenylanilino)pentane-1,2,3,4-tetrol

(2R,3S,4R)-5-(3,4-dimethyl-2-phenyldiazenylanilino)pentane-1,2,3,4-tetrol (PubChem CID 7452612) has the molecular formula C19H25N3O4 and a molecular weight of 359.43 g/mol. Its IUPAC name is (2R,3S,4R)-5-(3,4-dimethyl-2-phenyldiazenylanilino)pentane-1,2,3,4-tetrol.

Molecular Properties

Compound Name(2R,3S,4R)-5-(3,4-dimethyl-2-phenyldiazenylanilino)pentane-1,2,3,4-tetrol
PubChem CID7452612
Molecular FormulaC19H25N3O4
Molecular Weight359.43 g/mol
Exact Mass359.18
IUPAC Name(2R,3S,4R)-5-(3,4-dimethyl-2-phenyldiazenylanilino)pentane-1,2,3,4-tetrol
SMILESCc1ccc(NC[C@@H](O)[C@H](O)[C@H](O)CO)c(/N=N/c2ccccc2)c1C
InChIInChI=1S/C19H25N3O4/c1-12-8-9-15(20-10-16(24)19(26)17(25)11-23)18(13(12)2)22-21-14-6-4-3-5-7-14/h3-9,16-17,19-20,23-26H,10-11H2,1-2H3/b22-21+/t16-,17-,19+/m1/s1
InChIKeyBVMBLTCSAVCYFW-JWLZUPGLSA-N
XLogP2.21
TPSA117.67 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.43
LogP ≤ 52.21
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2R,3S,4R)-5-(3,4-dimethyl-2-phenyldiazenylanilino)pentane-1,2,3,4-tetrol?
The IUPAC name of (2R,3S,4R)-5-(3,4-dimethyl-2-phenyldiazenylanilino)pentane-1,2,3,4-tetrol (CID 7452612) is (2R,3S,4R)-5-(3,4-dimethyl-2-phenyldiazenylanilino)pentane-1,2,3,4-tetrol.
What is the SMILES notation for (2R,3S,4R)-5-(3,4-dimethyl-2-phenyldiazenylanilino)pentane-1,2,3,4-tetrol?
The canonical SMILES for (2R,3S,4R)-5-(3,4-dimethyl-2-phenyldiazenylanilino)pentane-1,2,3,4-tetrol is Cc1ccc(NC[C@@H](O)[C@H](O)[C@H](O)CO)c(/N=N/c2ccccc2)c1C.
What is the InChIKey of (2R,3S,4R)-5-(3,4-dimethyl-2-phenyldiazenylanilino)pentane-1,2,3,4-tetrol?
The InChIKey is BVMBLTCSAVCYFW-JWLZUPGLSA-N. The full InChI is InChI=1S/C19H25N3O4/c1-12-8-9-15(20-10-16(24)19(26)17(25)11-23)18(13(12)2)22-21-14-6-4-3-5-7-14/h3-9,16-17,19-20,23-26H,10-11H2,1-2H3/b22-21+/t16-,17-,19+/m1/s1.
What are the key properties of (2R,3S,4R)-5-(3,4-dimethyl-2-phenyldiazenylanilino)pentane-1,2,3,4-tetrol?
(2R,3S,4R)-5-(3,4-dimethyl-2-phenyldiazenylanilino)pentane-1,2,3,4-tetrol has a molecular weight of 359.43 g/mol, XLogP of 2.21, 8 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,4R)-5-(3,4-dimethyl-2-phenyldiazenylanilino)pentane-1,2,3,4-tetrol is sourced from PubChem (CID 7452612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).