(5Z)-6-imino-5-(phenylhydrazinylidene)hexane-1,2,3,4-tetrol

C12H17N3O4 — CID 88918747

IUPAC(5Z)-6-imino-5-(phenylhydrazinylidene)hexane-1,2,3,4-tetrol
SMILES[H]/N=C/C(=N/Nc1ccccc1)C(O)C(O)C(O)CO
InChIInChI=1S/C12H17N3O4/c13-6-9(11(18)12(19)10(17)7-16)15-14-8-4-2-1-3-5-8/h1-6,10-14,16-19H,7H2/b13-6+,15-9-
InChIKeyZPGNFAJFRMPURM-OELJXHARSA-N
MW267.29 g/mol
LogP-0.82
Rot. Bonds7

About (5Z)-6-imino-5-(phenylhydrazinylidene)hexane-1,2,3,4-tetrol

(5Z)-6-imino-5-(phenylhydrazinylidene)hexane-1,2,3,4-tetrol (PubChem CID 88918747) has the molecular formula C12H17N3O4 and a molecular weight of 267.29 g/mol. Its IUPAC name is (5Z)-6-imino-5-(phenylhydrazinylidene)hexane-1,2,3,4-tetrol.

Molecular Properties

Compound Name(5Z)-6-imino-5-(phenylhydrazinylidene)hexane-1,2,3,4-tetrol
PubChem CID88918747
Molecular FormulaC12H17N3O4
Molecular Weight267.29 g/mol
Exact Mass267.12
IUPAC Name(5Z)-6-imino-5-(phenylhydrazinylidene)hexane-1,2,3,4-tetrol
SMILES[H]/N=C/C(=N/Nc1ccccc1)C(O)C(O)C(O)CO
InChIInChI=1S/C12H17N3O4/c13-6-9(11(18)12(19)10(17)7-16)15-14-8-4-2-1-3-5-8/h1-6,10-14,16-19H,7H2/b13-6+,15-9-
InChIKeyZPGNFAJFRMPURM-OELJXHARSA-N
XLogP-0.82
TPSA129.16 Ų
H-Bond Donors6
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500267.29
LogP ≤ 5-0.82
H-Bond Donors ≤ 56
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
(2R,3R,4S,5S,6S,7Z,8E)-7,8-bis(phenylhydrazinylidene)octane-1,2,3,4,5,6-hexol
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
(2R,3R,4R)-2,3,4,5-tetrahydroxy-N-phenylpentanamide
CID 54295332
(2R,4R,5R,6R)-2,4,5,6,7-pentahydroxy-3-oxo-N'-phenylheptanehydrazide
CID 92532681
(2R,4S,5R,6R)-2,4,5,6,7-pentahydroxy-3-oxo-N'-phenylheptanehydrazide
CID 98572843
(1Z,2Z,3S,4S,5S)-5-methoxy-1,2-bis(phenylhydrazinylidene)hexane-3,4-diol
CID 170858139
2-[(2Z)-2-[(2E,3S,4S,5R)-3,4,5,6-tetrahydroxy-2-[(4-oxo-3H-quinazolin-2-yl)hydrazinylidene]hexylidene]hydrazinyl]-3H-quinazolin-4-one
CID 136702275
(2R,3R,4S,5R,6S)-2-(hydroxymethyl)-6-[(5E,6E)-1,2,4-trihydroxy-5,6-bis(phenylhydrazinylidene)hexan-3-yl]oxyoxane-3,4,5-triol
CID 172951280
hexane-1,2,3,4,5,6-hexol;phenylcarbamic acid
CID 54607151
(2R,3R)-1-phenylbutane-1,2,3,4-tetrol
CID 66722513

Frequently Asked Questions

What is the IUPAC name of (5Z)-6-imino-5-(phenylhydrazinylidene)hexane-1,2,3,4-tetrol?
The IUPAC name of (5Z)-6-imino-5-(phenylhydrazinylidene)hexane-1,2,3,4-tetrol (CID 88918747) is (5Z)-6-imino-5-(phenylhydrazinylidene)hexane-1,2,3,4-tetrol.
What is the SMILES notation for (5Z)-6-imino-5-(phenylhydrazinylidene)hexane-1,2,3,4-tetrol?
The canonical SMILES for (5Z)-6-imino-5-(phenylhydrazinylidene)hexane-1,2,3,4-tetrol is [H]/N=C/C(=N/Nc1ccccc1)C(O)C(O)C(O)CO.
What is the InChIKey of (5Z)-6-imino-5-(phenylhydrazinylidene)hexane-1,2,3,4-tetrol?
The InChIKey is ZPGNFAJFRMPURM-OELJXHARSA-N. The full InChI is InChI=1S/C12H17N3O4/c13-6-9(11(18)12(19)10(17)7-16)15-14-8-4-2-1-3-5-8/h1-6,10-14,16-19H,7H2/b13-6+,15-9-.
What are the key properties of (5Z)-6-imino-5-(phenylhydrazinylidene)hexane-1,2,3,4-tetrol?
(5Z)-6-imino-5-(phenylhydrazinylidene)hexane-1,2,3,4-tetrol has a molecular weight of 267.29 g/mol, XLogP of -0.82, 7 rotatable bonds, 6 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-6-imino-5-(phenylhydrazinylidene)hexane-1,2,3,4-tetrol is sourced from PubChem (CID 88918747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).