(2R,3R,4R,5S)-6-(diphenylhydrazinylidene)hexane-1,2,3,4,5-pentol

C18H22N2O5 — CID 67783698

IUPAC(2R,3R,4R,5S)-6-(diphenylhydrazinylidene)hexane-1,2,3,4,5-pentol
SMILESOC[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)C=NN(c1ccccc1)c1ccccc1
InChIInChI=1S/C18H22N2O5/c21-12-16(23)18(25)17(24)15(22)11-19-20(13-7-3-1-4-8-13)14-9-5-2-6-10-14/h1-11,15-18,21-25H,12H2/t15-,16+,17+,18+/m0/s1
InChIKeyAAGYENAIRJWWBZ-BSDSXHPESA-N
MW346.38 g/mol
LogP0.25
Rot. Bonds8

About (2R,3R,4R,5S)-6-(diphenylhydrazinylidene)hexane-1,2,3,4,5-pentol

(2R,3R,4R,5S)-6-(diphenylhydrazinylidene)hexane-1,2,3,4,5-pentol (PubChem CID 67783698) has the molecular formula C18H22N2O5 and a molecular weight of 346.38 g/mol. Its IUPAC name is (2R,3R,4R,5S)-6-(diphenylhydrazinylidene)hexane-1,2,3,4,5-pentol.

Molecular Properties

Compound Name(2R,3R,4R,5S)-6-(diphenylhydrazinylidene)hexane-1,2,3,4,5-pentol
PubChem CID67783698
Molecular FormulaC18H22N2O5
Molecular Weight346.38 g/mol
Exact Mass346.15
IUPAC Name(2R,3R,4R,5S)-6-(diphenylhydrazinylidene)hexane-1,2,3,4,5-pentol
SMILESOC[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)C=NN(c1ccccc1)c1ccccc1
InChIInChI=1S/C18H22N2O5/c21-12-16(23)18(25)17(24)15(22)11-19-20(13-7-3-1-4-8-13)14-9-5-2-6-10-14/h1-11,15-18,21-25H,12H2/t15-,16+,17+,18+/m0/s1
InChIKeyAAGYENAIRJWWBZ-BSDSXHPESA-N
XLogP0.25
TPSA116.75 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.38
LogP ≤ 50.25
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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Frequently Asked Questions

What is the IUPAC name of (2R,3R,4R,5S)-6-(diphenylhydrazinylidene)hexane-1,2,3,4,5-pentol?
The IUPAC name of (2R,3R,4R,5S)-6-(diphenylhydrazinylidene)hexane-1,2,3,4,5-pentol (CID 67783698) is (2R,3R,4R,5S)-6-(diphenylhydrazinylidene)hexane-1,2,3,4,5-pentol.
What is the SMILES notation for (2R,3R,4R,5S)-6-(diphenylhydrazinylidene)hexane-1,2,3,4,5-pentol?
The canonical SMILES for (2R,3R,4R,5S)-6-(diphenylhydrazinylidene)hexane-1,2,3,4,5-pentol is OC[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)C=NN(c1ccccc1)c1ccccc1.
What is the InChIKey of (2R,3R,4R,5S)-6-(diphenylhydrazinylidene)hexane-1,2,3,4,5-pentol?
The InChIKey is AAGYENAIRJWWBZ-BSDSXHPESA-N. The full InChI is InChI=1S/C18H22N2O5/c21-12-16(23)18(25)17(24)15(22)11-19-20(13-7-3-1-4-8-13)14-9-5-2-6-10-14/h1-11,15-18,21-25H,12H2/t15-,16+,17+,18+/m0/s1.
What are the key properties of (2R,3R,4R,5S)-6-(diphenylhydrazinylidene)hexane-1,2,3,4,5-pentol?
(2R,3R,4R,5S)-6-(diphenylhydrazinylidene)hexane-1,2,3,4,5-pentol has a molecular weight of 346.38 g/mol, XLogP of 0.25, 8 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4R,5S)-6-(diphenylhydrazinylidene)hexane-1,2,3,4,5-pentol is sourced from PubChem (CID 67783698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).