(2R,3R,4R,5S)-6-[(3-hydroxynaphthalen-2-yl)methylideneamino]hexane-1,2,3,4,5-pentol

C17H21NO6 — CID 135823139

IUPAC(2R,3R,4R,5S)-6-[(3-hydroxynaphthalen-2-yl)methylideneamino]hexane-1,2,3,4,5-pentol
SMILESOC[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)C/N=C/c1cc2ccccc2cc1O
InChIInChI=1S/C17H21NO6/c19-9-15(22)17(24)16(23)14(21)8-18-7-12-5-10-3-1-2-4-11(10)6-13(12)20/h1-7,14-17,19-24H,8-9H2/b18-7+/t14-,15+,16+,17+/m0/s1
InChIKeyBLZDKEYFFVUROH-KCMGTEAMSA-N
MW335.36 g/mol
LogP-0.60
Rot. Bonds7

About (2R,3R,4R,5S)-6-[(3-hydroxynaphthalen-2-yl)methylideneamino]hexane-1,2,3,4,5-pentol

(2R,3R,4R,5S)-6-[(3-hydroxynaphthalen-2-yl)methylideneamino]hexane-1,2,3,4,5-pentol (PubChem CID 135823139) has the molecular formula C17H21NO6 and a molecular weight of 335.36 g/mol. Its IUPAC name is (2R,3R,4R,5S)-6-[(3-hydroxynaphthalen-2-yl)methylideneamino]hexane-1,2,3,4,5-pentol.

Molecular Properties

Compound Name(2R,3R,4R,5S)-6-[(3-hydroxynaphthalen-2-yl)methylideneamino]hexane-1,2,3,4,5-pentol
PubChem CID135823139
Molecular FormulaC17H21NO6
Molecular Weight335.36 g/mol
Exact Mass335.14
IUPAC Name(2R,3R,4R,5S)-6-[(3-hydroxynaphthalen-2-yl)methylideneamino]hexane-1,2,3,4,5-pentol
SMILESOC[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)C/N=C/c1cc2ccccc2cc1O
InChIInChI=1S/C17H21NO6/c19-9-15(22)17(24)16(23)14(21)8-18-7-12-5-10-3-1-2-4-11(10)6-13(12)20/h1-7,14-17,19-24H,8-9H2/b18-7+/t14-,15+,16+,17+/m0/s1
InChIKeyBLZDKEYFFVUROH-KCMGTEAMSA-N
XLogP-0.60
TPSA133.74 Ų
H-Bond Donors6
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500335.36
LogP ≤ 5-0.60
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze (2R,3R,4R,5S)-6-[(3-hydroxynaphthalen-2-yl)methylideneamino]hexane-1,2,3,4,5-pentol 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

3-[10-[(3-hydroxynaphthalen-2-yl)methylideneamino]decyliminomethyl]naphthalen-2-ol
CID 177478383
(2R,3R,4R,5S)-6-[(4-methoxyphenyl)methylideneamino]hexane-1,2,3,4,5-pentol
CID 24774769
3-methanehydrazonoylnaphthalen-2-ol
CID 915671
2-[[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]iminomethyl]benzo[f]chromen-1-one
CID 132572532
(2R,3R,4R,5S)-6-[[4-(dimethylamino)phenyl]methylideneamino]hexane-1,2,3,4,5-pentol
CID 53381828
3-[[(1S)-1-phenylethyl]iminomethyl]naphthalen-2-ol
CID 136773252
3-[(E)-[(E)-anthracen-9-ylmethylidenehydrazinylidene]methyl]naphthalen-2-ol
CID 135549556
(2S,3S,4R,5S)-2,3,4,5,6-pentahydroxy-N-[(Z)-(2-hydroxyphenyl)methylideneamino]hexanamide
CID 136810471
4-bromo-2-[[2-hydroxy-2-(2-methylphenyl)ethyl]iminomethyl]phenol
CID 136703873
[(1S)-2-[(5-bromo-2-hydroxyphenyl)methylideneamino]-1-(4-methoxyphenyl)ethyl]-dimethylazanium
CID 135596433
(2R,3R,4R,5S)-6-[[3-hydroxy-5-(hydroxymethyl)-2-methyl-4-pyridinyl]methylideneamino]hexane-1,2,3,4,5-pentol
CID 136703461
(2R,3R,4R,5S)-hexane-1,2,3,4,5,6-hexol;iron
CID 173421469

Frequently Asked Questions

What is the IUPAC name of (2R,3R,4R,5S)-6-[(3-hydroxynaphthalen-2-yl)methylideneamino]hexane-1,2,3,4,5-pentol?
The IUPAC name of (2R,3R,4R,5S)-6-[(3-hydroxynaphthalen-2-yl)methylideneamino]hexane-1,2,3,4,5-pentol (CID 135823139) is (2R,3R,4R,5S)-6-[(3-hydroxynaphthalen-2-yl)methylideneamino]hexane-1,2,3,4,5-pentol.
What is the SMILES notation for (2R,3R,4R,5S)-6-[(3-hydroxynaphthalen-2-yl)methylideneamino]hexane-1,2,3,4,5-pentol?
The canonical SMILES for (2R,3R,4R,5S)-6-[(3-hydroxynaphthalen-2-yl)methylideneamino]hexane-1,2,3,4,5-pentol is OC[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)C/N=C/c1cc2ccccc2cc1O.
What is the InChIKey of (2R,3R,4R,5S)-6-[(3-hydroxynaphthalen-2-yl)methylideneamino]hexane-1,2,3,4,5-pentol?
The InChIKey is BLZDKEYFFVUROH-KCMGTEAMSA-N. The full InChI is InChI=1S/C17H21NO6/c19-9-15(22)17(24)16(23)14(21)8-18-7-12-5-10-3-1-2-4-11(10)6-13(12)20/h1-7,14-17,19-24H,8-9H2/b18-7+/t14-,15+,16+,17+/m0/s1.
What are the key properties of (2R,3R,4R,5S)-6-[(3-hydroxynaphthalen-2-yl)methylideneamino]hexane-1,2,3,4,5-pentol?
(2R,3R,4R,5S)-6-[(3-hydroxynaphthalen-2-yl)methylideneamino]hexane-1,2,3,4,5-pentol has a molecular weight of 335.36 g/mol, XLogP of -0.60, 7 rotatable bonds, 6 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4R,5S)-6-[(3-hydroxynaphthalen-2-yl)methylideneamino]hexane-1,2,3,4,5-pentol is sourced from PubChem (CID 135823139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).