(2S,3E,6S)-2-(hydroxymethyl)-6-methoxy-3,5-bis(phenylhydrazinylidene)oxan-4-one

C19H20N4O4 — CID 39355098

IUPAC(2S,3E,6S)-2-(hydroxymethyl)-6-methoxy-3,5-bis(phenylhydrazinylidene)oxan-4-one
SMILESCO[C@H]1O[C@H](CO)/C(=N\Nc2ccccc2)C(=O)C1=NNc1ccccc1
InChIInChI=1S/C19H20N4O4/c1-26-19-17(23-21-14-10-6-3-7-11-14)18(25)16(15(12-24)27-19)22-20-13-8-4-2-5-9-13/h2-11,15,19-21,24H,12H2,1H3/b22-16+,23-17?/t15-,19+/m1/s1
InChIKeyWMTXRYNWOMLAOZ-LLBWDUQSSA-N
MW368.39 g/mol
LogP1.86
Rot. Bonds6

About (2S,3E,6S)-2-(hydroxymethyl)-6-methoxy-3,5-bis(phenylhydrazinylidene)oxan-4-one

(2S,3E,6S)-2-(hydroxymethyl)-6-methoxy-3,5-bis(phenylhydrazinylidene)oxan-4-one (PubChem CID 39355098) has the molecular formula C19H20N4O4 and a molecular weight of 368.39 g/mol. Its IUPAC name is (2S,3E,6S)-2-(hydroxymethyl)-6-methoxy-3,5-bis(phenylhydrazinylidene)oxan-4-one.

Molecular Properties

Compound Name(2S,3E,6S)-2-(hydroxymethyl)-6-methoxy-3,5-bis(phenylhydrazinylidene)oxan-4-one
PubChem CID39355098
Molecular FormulaC19H20N4O4
Molecular Weight368.39 g/mol
Exact Mass368.15
IUPAC Name(2S,3E,6S)-2-(hydroxymethyl)-6-methoxy-3,5-bis(phenylhydrazinylidene)oxan-4-one
SMILESCO[C@H]1O[C@H](CO)/C(=N\Nc2ccccc2)C(=O)C1=NNc1ccccc1
InChIInChI=1S/C19H20N4O4/c1-26-19-17(23-21-14-10-6-3-7-11-14)18(25)16(15(12-24)27-19)22-20-13-8-4-2-5-9-13/h2-11,15,19-21,24H,12H2,1H3/b22-16+,23-17?/t15-,19+/m1/s1
InChIKeyWMTXRYNWOMLAOZ-LLBWDUQSSA-N
XLogP1.86
TPSA104.54 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.39
LogP ≤ 51.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze (2S,3E,6S)-2-(hydroxymethyl)-6-methoxy-3,5-bis(phenylhydrazinylidene)oxan-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S,3Z,5E,6S)-2-(hydroxymethyl)-6-methoxy-3,5-bis(phenylhydrazinylidene)oxan-4-one
CID 51055766
5-(1,2-dihydroxyethyl)-3,4-bis(phenylhydrazinylidene)oxolan-2-one
CID 3810559
(3E,4E,5R)-5-[(1S)-1,2-dihydroxyethyl]-3,4-bis(phenylhydrazinylidene)oxolan-2-one
CID 51562676
(3E,4E,5R)-5-[(1R)-1,2-dihydroxyethyl]-3,4-bis(phenylhydrazinylidene)oxolan-2-one
CID 51562675
(2S,3S,4S,5E,6Z)-2-(hydroxymethyl)-5,6-bis(phenylhydrazinylidene)oxane-3,4-diol
CID 16637680
ethyl (3S,4E)-1-methyl-5-oxo-4-(phenylhydrazinylidene)pyrrolidine-3-carboxylate
CID 5391330
methyl [bis(methoxycarbonyl)-(phenylhydrazinylidene)-λ5-phosphanyl]formate
CID 100991454
5-anilino-2-(hydroxymethyl)-6-methoxyoxane-3,4-diol
CID 175827969
trans-diethyl (1R,2E,4R,5Z)-2,5-bis(phenylhydrazinylidene)cyclohexane-1,4-dicarboxylate
CID 26475706
dimethyl (2E)-2-(phenylhydrazinylidene)butanedioate
CID 16646134
diethyl (2S,3R,4E)-1-cyclohexyl-5-oxo-4-(phenylhydrazinylidene)pyrrolidine-2,3-dicarboxylate
CID 7832466
methyl (4E)-4-(phenylhydrazinylidene)pentanoate
CID 5355076

Frequently Asked Questions

What is the IUPAC name of (2S,3E,6S)-2-(hydroxymethyl)-6-methoxy-3,5-bis(phenylhydrazinylidene)oxan-4-one?
The IUPAC name of (2S,3E,6S)-2-(hydroxymethyl)-6-methoxy-3,5-bis(phenylhydrazinylidene)oxan-4-one (CID 39355098) is (2S,3E,6S)-2-(hydroxymethyl)-6-methoxy-3,5-bis(phenylhydrazinylidene)oxan-4-one.
What is the SMILES notation for (2S,3E,6S)-2-(hydroxymethyl)-6-methoxy-3,5-bis(phenylhydrazinylidene)oxan-4-one?
The canonical SMILES for (2S,3E,6S)-2-(hydroxymethyl)-6-methoxy-3,5-bis(phenylhydrazinylidene)oxan-4-one is CO[C@H]1O[C@H](CO)/C(=N\Nc2ccccc2)C(=O)C1=NNc1ccccc1.
What is the InChIKey of (2S,3E,6S)-2-(hydroxymethyl)-6-methoxy-3,5-bis(phenylhydrazinylidene)oxan-4-one?
The InChIKey is WMTXRYNWOMLAOZ-LLBWDUQSSA-N. The full InChI is InChI=1S/C19H20N4O4/c1-26-19-17(23-21-14-10-6-3-7-11-14)18(25)16(15(12-24)27-19)22-20-13-8-4-2-5-9-13/h2-11,15,19-21,24H,12H2,1H3/b22-16+,23-17?/t15-,19+/m1/s1.
What are the key properties of (2S,3E,6S)-2-(hydroxymethyl)-6-methoxy-3,5-bis(phenylhydrazinylidene)oxan-4-one?
(2S,3E,6S)-2-(hydroxymethyl)-6-methoxy-3,5-bis(phenylhydrazinylidene)oxan-4-one has a molecular weight of 368.39 g/mol, XLogP of 1.86, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3E,6S)-2-(hydroxymethyl)-6-methoxy-3,5-bis(phenylhydrazinylidene)oxan-4-one is sourced from PubChem (CID 39355098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).