(2R,3R,4E,5Z)-4,5-bis(phenylhydrazinylidene)pentane-1,2,3-triol

C17H20N4O3 — CID 6409663

IUPAC(2R,3R,4E,5Z)-4,5-bis(phenylhydrazinylidene)pentane-1,2,3-triol
SMILESOC[C@@H](O)[C@H](O)C(/C=N\Nc1ccccc1)=N/Nc1ccccc1
InChIInChI=1S/C17H20N4O3/c22-12-16(23)17(24)15(21-20-14-9-5-2-6-10-14)11-18-19-13-7-3-1-4-8-13/h1-11,16-17,19-20,22-24H,12H2/b18-11-,21-15+/t16-,17-/m1/s1
InChIKeyIKUNLGFTFBMATL-LPFZUEJBSA-N
MW328.37 g/mol
LogP1.27
Rot. Bonds8

About (2R,3R,4E,5Z)-4,5-bis(phenylhydrazinylidene)pentane-1,2,3-triol

(2R,3R,4E,5Z)-4,5-bis(phenylhydrazinylidene)pentane-1,2,3-triol (PubChem CID 6409663) has the molecular formula C17H20N4O3 and a molecular weight of 328.37 g/mol. Its IUPAC name is (2R,3R,4E,5Z)-4,5-bis(phenylhydrazinylidene)pentane-1,2,3-triol.

Molecular Properties

Compound Name(2R,3R,4E,5Z)-4,5-bis(phenylhydrazinylidene)pentane-1,2,3-triol
PubChem CID6409663
Molecular FormulaC17H20N4O3
Molecular Weight328.37 g/mol
Exact Mass328.15
IUPAC Name(2R,3R,4E,5Z)-4,5-bis(phenylhydrazinylidene)pentane-1,2,3-triol
SMILESOC[C@@H](O)[C@H](O)C(/C=N\Nc1ccccc1)=N/Nc1ccccc1
InChIInChI=1S/C17H20N4O3/c22-12-16(23)17(24)15(21-20-14-9-5-2-6-10-14)11-18-19-13-7-3-1-4-8-13/h1-11,16-17,19-20,22-24H,12H2/b18-11-,21-15+/t16-,17-/m1/s1
InChIKeyIKUNLGFTFBMATL-LPFZUEJBSA-N
XLogP1.27
TPSA109.47 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.37
LogP ≤ 51.27
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3,4,5-trihydroxy-2-(2-phenylhydrazono)pentanal N-phenylhydrazone
CID 9566349
D-Glucosazone
CID 131880540
Dextrosazone
CID 91618094
D-Arabino-Hexosulose, bis(phenylhydrazone)
CID 9561016
Phenyl hydrazone alpha D-glucose
CID 57349457
2-(hydroxymethyl)-6-[(5E,6E)-2,3,4-trihydroxy-5,6-bis(phenylhydrazinylidene)hexoxy]oxane-3,4,5-triol
CID 9614326
(5E,6Z)-5,6-bis(phenylhydrazinylidene)hexane-2,3,4-triol
CID 54607933
D-ribo-Hexosulose, bis(phenylhydrazone)
CID 6436933
Cellobiosazone
CID 9569562
(6Z)-6-(phenylhydrazinylidene)hexane-1,2,3,4,5-pentol
CID 5354802
(5Z,6Z)-5,6-bis(phenylhydrazinylidene)hexane-1,2,3,4-tetrol
CID 6398974
Hydroxypyruvaldehyde phenylosazone
CID 9589371

Frequently Asked Questions

What is the IUPAC name of (2R,3R,4E,5Z)-4,5-bis(phenylhydrazinylidene)pentane-1,2,3-triol?
The IUPAC name of (2R,3R,4E,5Z)-4,5-bis(phenylhydrazinylidene)pentane-1,2,3-triol (CID 6409663) is (2R,3R,4E,5Z)-4,5-bis(phenylhydrazinylidene)pentane-1,2,3-triol.
What is the SMILES notation for (2R,3R,4E,5Z)-4,5-bis(phenylhydrazinylidene)pentane-1,2,3-triol?
The canonical SMILES for (2R,3R,4E,5Z)-4,5-bis(phenylhydrazinylidene)pentane-1,2,3-triol is OC[C@@H](O)[C@H](O)C(/C=N\Nc1ccccc1)=N/Nc1ccccc1.
What is the InChIKey of (2R,3R,4E,5Z)-4,5-bis(phenylhydrazinylidene)pentane-1,2,3-triol?
The InChIKey is IKUNLGFTFBMATL-LPFZUEJBSA-N. The full InChI is InChI=1S/C17H20N4O3/c22-12-16(23)17(24)15(21-20-14-9-5-2-6-10-14)11-18-19-13-7-3-1-4-8-13/h1-11,16-17,19-20,22-24H,12H2/b18-11-,21-15+/t16-,17-/m1/s1.
What are the key properties of (2R,3R,4E,5Z)-4,5-bis(phenylhydrazinylidene)pentane-1,2,3-triol?
(2R,3R,4E,5Z)-4,5-bis(phenylhydrazinylidene)pentane-1,2,3-triol has a molecular weight of 328.37 g/mol, XLogP of 1.27, 8 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4E,5Z)-4,5-bis(phenylhydrazinylidene)pentane-1,2,3-triol is sourced from PubChem (CID 6409663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).