(1Z,2Z,3S,4S,5S)-5-methoxy-1,2-bis(phenylhydrazinylidene)hexane-3,4-diol

C19H24N4O3 — CID 170858139

IUPAC(1Z,2Z,3S,4S,5S)-5-methoxy-1,2-bis(phenylhydrazinylidene)hexane-3,4-diol
SMILESCO[C@@H](C)[C@@H](O)[C@@H](O)C(/C=N\Nc1ccccc1)=N\Nc1ccccc1
InChIInChI=1S/C19H24N4O3/c1-14(26-2)18(24)19(25)17(23-22-16-11-7-4-8-12-16)13-20-21-15-9-5-3-6-10-15/h3-14,18-19,21-22,24-25H,1-2H3/b20-13-,23-17-/t14-,18+,19-/m0/s1
InChIKeyJWOXTEHRDDYXJY-ICTLQZADSA-N
MW356.43 g/mol
LogP2.31
Rot. Bonds9

About (1Z,2Z,3S,4S,5S)-5-methoxy-1,2-bis(phenylhydrazinylidene)hexane-3,4-diol

(1Z,2Z,3S,4S,5S)-5-methoxy-1,2-bis(phenylhydrazinylidene)hexane-3,4-diol (PubChem CID 170858139) has the molecular formula C19H24N4O3 and a molecular weight of 356.43 g/mol. Its IUPAC name is (1Z,2Z,3S,4S,5S)-5-methoxy-1,2-bis(phenylhydrazinylidene)hexane-3,4-diol.

Molecular Properties

Compound Name(1Z,2Z,3S,4S,5S)-5-methoxy-1,2-bis(phenylhydrazinylidene)hexane-3,4-diol
PubChem CID170858139
Molecular FormulaC19H24N4O3
Molecular Weight356.43 g/mol
Exact Mass356.18
IUPAC Name(1Z,2Z,3S,4S,5S)-5-methoxy-1,2-bis(phenylhydrazinylidene)hexane-3,4-diol
SMILESCO[C@@H](C)[C@@H](O)[C@@H](O)C(/C=N\Nc1ccccc1)=N\Nc1ccccc1
InChIInChI=1S/C19H24N4O3/c1-14(26-2)18(24)19(25)17(23-22-16-11-7-4-8-12-16)13-20-21-15-9-5-3-6-10-15/h3-14,18-19,21-22,24-25H,1-2H3/b20-13-,23-17-/t14-,18+,19-/m0/s1
InChIKeyJWOXTEHRDDYXJY-ICTLQZADSA-N
XLogP2.31
TPSA98.47 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.43
LogP ≤ 52.31
H-Bond Donors ≤ 54
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

(2R,3R,4S,5E,6Z)-5,6-bis(phenylhydrazinylidene)hexane-1,2,3,4-tetrol
CID 7658673
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CID 98502367
(2R,3R,4E,5Z)-4,5-bis(phenylhydrazinylidene)pentane-1,2,3-triol
CID 6409663
(2S,4E)-3,4-bis(phenylhydrazinylidene)butane-1,2-diol
CID 72710757
(1E,2E)-N-phenyl-2-(phenylhydrazinylidene)ethanehydrazonoyl chloride
CID 134879796
(2E)-N'-anilino-2-(phenylhydrazinylidene)ethanimidamide
CID 15309595
[2,3-diacetyloxy-4,5-bis(phenylhydrazinylidene)pentyl] acetate
CID 6399146
2,3-bis(phenylhydrazinylidene)propanal
CID 6399152
(5Z)-6-imino-5-(phenylhydrazinylidene)hexane-1,2,3,4-tetrol
CID 88918747
N-[(Z)-3-methylbutan-2-ylideneamino]aniline
CID 5484372
N-[3-hydroxyimino-2-(phenylhydrazinylidene)propylidene]hydroxylamine
CID 137198938
2-methylpropyl 3-oxo-4-(phenylhydrazinylidene)butanoate
CID 174291322

Frequently Asked Questions

What is the IUPAC name of (1Z,2Z,3S,4S,5S)-5-methoxy-1,2-bis(phenylhydrazinylidene)hexane-3,4-diol?
The IUPAC name of (1Z,2Z,3S,4S,5S)-5-methoxy-1,2-bis(phenylhydrazinylidene)hexane-3,4-diol (CID 170858139) is (1Z,2Z,3S,4S,5S)-5-methoxy-1,2-bis(phenylhydrazinylidene)hexane-3,4-diol.
What is the SMILES notation for (1Z,2Z,3S,4S,5S)-5-methoxy-1,2-bis(phenylhydrazinylidene)hexane-3,4-diol?
The canonical SMILES for (1Z,2Z,3S,4S,5S)-5-methoxy-1,2-bis(phenylhydrazinylidene)hexane-3,4-diol is CO[C@@H](C)[C@@H](O)[C@@H](O)C(/C=N\Nc1ccccc1)=N\Nc1ccccc1.
What is the InChIKey of (1Z,2Z,3S,4S,5S)-5-methoxy-1,2-bis(phenylhydrazinylidene)hexane-3,4-diol?
The InChIKey is JWOXTEHRDDYXJY-ICTLQZADSA-N. The full InChI is InChI=1S/C19H24N4O3/c1-14(26-2)18(24)19(25)17(23-22-16-11-7-4-8-12-16)13-20-21-15-9-5-3-6-10-15/h3-14,18-19,21-22,24-25H,1-2H3/b20-13-,23-17-/t14-,18+,19-/m0/s1.
What are the key properties of (1Z,2Z,3S,4S,5S)-5-methoxy-1,2-bis(phenylhydrazinylidene)hexane-3,4-diol?
(1Z,2Z,3S,4S,5S)-5-methoxy-1,2-bis(phenylhydrazinylidene)hexane-3,4-diol has a molecular weight of 356.43 g/mol, XLogP of 2.31, 9 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z,2Z,3S,4S,5S)-5-methoxy-1,2-bis(phenylhydrazinylidene)hexane-3,4-diol is sourced from PubChem (CID 170858139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).