(2R,3R,4E)-4-[benzyl(phenyl)hydrazinylidene]butane-1,2,3-triol

C17H20N2O3 — CID 98511351

IUPAC(2R,3R,4E)-4-[benzyl(phenyl)hydrazinylidene]butane-1,2,3-triol
SMILESOC[C@@H](O)[C@H](O)/C=N/N(Cc1ccccc1)c1ccccc1
InChIInChI=1S/C17H20N2O3/c20-13-17(22)16(21)11-18-19(15-9-5-2-6-10-15)12-14-7-3-1-4-8-14/h1-11,16-17,20-22H,12-13H2/b18-11+/t16-,17-/m1/s1
InChIKeyPXFODPZGCYQHHM-RHUDWFJBSA-N
MW300.36 g/mol
LogP1.39
Rot. Bonds7

About (2R,3R,4E)-4-[benzyl(phenyl)hydrazinylidene]butane-1,2,3-triol

(2R,3R,4E)-4-[benzyl(phenyl)hydrazinylidene]butane-1,2,3-triol (PubChem CID 98511351) has the molecular formula C17H20N2O3 and a molecular weight of 300.36 g/mol. Its IUPAC name is (2R,3R,4E)-4-[benzyl(phenyl)hydrazinylidene]butane-1,2,3-triol.

Molecular Properties

Compound Name(2R,3R,4E)-4-[benzyl(phenyl)hydrazinylidene]butane-1,2,3-triol
PubChem CID98511351
Molecular FormulaC17H20N2O3
Molecular Weight300.36 g/mol
Exact Mass300.15
IUPAC Name(2R,3R,4E)-4-[benzyl(phenyl)hydrazinylidene]butane-1,2,3-triol
SMILESOC[C@@H](O)[C@H](O)/C=N/N(Cc1ccccc1)c1ccccc1
InChIInChI=1S/C17H20N2O3/c20-13-17(22)16(21)11-18-19(15-9-5-2-6-10-15)12-14-7-3-1-4-8-14/h1-11,16-17,20-22H,12-13H2/b18-11+/t16-,17-/m1/s1
InChIKeyPXFODPZGCYQHHM-RHUDWFJBSA-N
XLogP1.39
TPSA76.29 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 51.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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

(2R,3R,4R,5S)-6-(diphenylhydrazinylidene)hexane-1,2,3,4,5-pentol
CID 67783698
(2R,3S)-4-phenyliminobutane-1,2,3-triol
CID 98079118
4-[[benzyl(phenyl)hydrazinylidene]methyl]benzene-1,2,3-triol
CID 4079078
N-[(E)-anthracen-9-ylmethylideneamino]-N-benzylaniline
CID 21205176
N-benzyl-N-[(4-phenylphenyl)methylideneamino]aniline
CID 3486840
N-benzyl-N-[(Z)-(4-methylphenyl)methylideneamino]aniline
CID 6268194
(2R,3S)-3-(dibenzylamino)-4-phenylbutane-1,2-diol
CID 11142964
N-benzyl-N-diazenylaniline
CID 135121758
N-benzyl-N-[(E)-benzylideneamino]-3,5-dimethylaniline
CID 53376390
N-benzyl-N-[(E)-1H-indol-3-ylmethylideneamino]aniline
CID 135717367
N-benzyl-N-(3,3-diphenylprop-2-enylideneamino)-4-methylaniline
CID 54056068
4-[[benzyl(phenyl)hydrazinylidene]methyl]-2-methoxyphenol
CID 4245483

Frequently Asked Questions

What is the IUPAC name of (2R,3R,4E)-4-[benzyl(phenyl)hydrazinylidene]butane-1,2,3-triol?
The IUPAC name of (2R,3R,4E)-4-[benzyl(phenyl)hydrazinylidene]butane-1,2,3-triol (CID 98511351) is (2R,3R,4E)-4-[benzyl(phenyl)hydrazinylidene]butane-1,2,3-triol.
What is the SMILES notation for (2R,3R,4E)-4-[benzyl(phenyl)hydrazinylidene]butane-1,2,3-triol?
The canonical SMILES for (2R,3R,4E)-4-[benzyl(phenyl)hydrazinylidene]butane-1,2,3-triol is OC[C@@H](O)[C@H](O)/C=N/N(Cc1ccccc1)c1ccccc1.
What is the InChIKey of (2R,3R,4E)-4-[benzyl(phenyl)hydrazinylidene]butane-1,2,3-triol?
The InChIKey is PXFODPZGCYQHHM-RHUDWFJBSA-N. The full InChI is InChI=1S/C17H20N2O3/c20-13-17(22)16(21)11-18-19(15-9-5-2-6-10-15)12-14-7-3-1-4-8-14/h1-11,16-17,20-22H,12-13H2/b18-11+/t16-,17-/m1/s1.
What are the key properties of (2R,3R,4E)-4-[benzyl(phenyl)hydrazinylidene]butane-1,2,3-triol?
(2R,3R,4E)-4-[benzyl(phenyl)hydrazinylidene]butane-1,2,3-triol has a molecular weight of 300.36 g/mol, XLogP of 1.39, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4E)-4-[benzyl(phenyl)hydrazinylidene]butane-1,2,3-triol is sourced from PubChem (CID 98511351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).