6-(6-aminohexoxy)-2-(hydroxymethyl)-5-(4-naphthalen-1-yltriazol-1-yl)oxane-3,4-diol

C24H32N4O5 — CID 146620607

IUPAC6-(6-aminohexoxy)-2-(hydroxymethyl)-5-(4-naphthalen-1-yltriazol-1-yl)oxane-3,4-diol
SMILESNCCCCCCOC1OC(CO)C(O)C(O)C1n1cc(-c2cccc3ccccc23)nn1
InChIInChI=1S/C24H32N4O5/c25-12-5-1-2-6-13-32-24-21(23(31)22(30)20(15-29)33-24)28-14-19(26-27-28)18-11-7-9-16-8-3-4-10-17(16)18/h3-4,7-11,14,20-24,29-31H,1-2,5-6,12-13,15,25H2
InChIKeyRYNGRHYMQXIKMI-UHFFFAOYSA-N
MW456.54 g/mol
LogP1.61
Rot. Bonds10

About 6-(6-aminohexoxy)-2-(hydroxymethyl)-5-(4-naphthalen-1-yltriazol-1-yl)oxane-3,4-diol

6-(6-aminohexoxy)-2-(hydroxymethyl)-5-(4-naphthalen-1-yltriazol-1-yl)oxane-3,4-diol (PubChem CID 146620607) has the molecular formula C24H32N4O5 and a molecular weight of 456.54 g/mol. Its IUPAC name is 6-(6-aminohexoxy)-2-(hydroxymethyl)-5-(4-naphthalen-1-yltriazol-1-yl)oxane-3,4-diol.

Molecular Properties

Compound Name6-(6-aminohexoxy)-2-(hydroxymethyl)-5-(4-naphthalen-1-yltriazol-1-yl)oxane-3,4-diol
PubChem CID146620607
Molecular FormulaC24H32N4O5
Molecular Weight456.54 g/mol
Exact Mass456.24
IUPAC Name6-(6-aminohexoxy)-2-(hydroxymethyl)-5-(4-naphthalen-1-yltriazol-1-yl)oxane-3,4-diol
SMILESNCCCCCCOC1OC(CO)C(O)C(O)C1n1cc(-c2cccc3ccccc23)nn1
InChIInChI=1S/C24H32N4O5/c25-12-5-1-2-6-13-32-24-21(23(31)22(30)20(15-29)33-24)28-14-19(26-27-28)18-11-7-9-16-8-3-4-10-17(16)18/h3-4,7-11,14,20-24,29-31H,1-2,5-6,12-13,15,25H2
InChIKeyRYNGRHYMQXIKMI-UHFFFAOYSA-N
XLogP1.61
TPSA135.88 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.54
LogP ≤ 51.61
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

Analyze 6-(6-aminohexoxy)-2-(hydroxymethyl)-5-(4-naphthalen-1-yltriazol-1-yl)oxane-3,4-diol with MolForge

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Related Compounds

1-beta-D-glucopyranosyl-4-naphthalen-1-yl-1H-1,2,3-triazole
CID 44620950
1-beta-D-glucopyranosyl-4-naphthalen-2-yl-1H-1,2,3-triazole
CID 44620949
(2R,3R,4S,5R,6R)-2-methoxy-6-[[4-[4-(trifluoromethyl)phenyl]triazol-1-yl]methyl]oxane-3,4,5-triol
CID 46866490
(2S,3R,4R,5R)-5-fluoro-2-(4-naphthalen-2-yltriazol-1-yl)oxane-3,4-diol
CID 52948947
(2R,3R,4S,5R,6S)-2-(hydroxymethyl)-6-methylsulfanyl-4-(4-naphthalen-1-yltriazol-1-yl)oxane-3,5-diol
CID 11617978
LecB Inhibitor Triazoles 2g
CID 72836868
(2R,3R,4S,5R,6R)-2-methoxy-6-[(4-phenyltriazol-1-yl)methyl]oxane-3,4,5-triol
CID 46885769
(2R,3R,4S,5R,6R)-2-[[4-(2-aminophenyl)triazol-1-yl]methyl]-6-methoxyoxane-3,4,5-triol
CID 46885822
(2R,3R,4S,5R,6R)-2-methoxy-6-[[4-[2-(trifluoromethyl)phenyl]triazol-1-yl]methyl]oxane-3,4,5-triol
CID 46885824
(2R,3R,4S,5R,6R)-2-[[4-(4-aminophenyl)triazol-1-yl]methyl]-6-methoxyoxane-3,4,5-triol
CID 46885825
(2R,3R,4S,5R,6R)-2-methoxy-6-[[4-[3-(trifluoromethyl)phenyl]triazol-1-yl]methyl]oxane-3,4,5-triol
CID 46885866
(2R,3S,4R,5R,6R)-5-amino-2-(hydroxymethyl)-6-(4-phenyltriazol-1-yl)oxane-3,4-diol
CID 137650341

Frequently Asked Questions

What is the IUPAC name of 6-(6-aminohexoxy)-2-(hydroxymethyl)-5-(4-naphthalen-1-yltriazol-1-yl)oxane-3,4-diol?
The IUPAC name of 6-(6-aminohexoxy)-2-(hydroxymethyl)-5-(4-naphthalen-1-yltriazol-1-yl)oxane-3,4-diol (CID 146620607) is 6-(6-aminohexoxy)-2-(hydroxymethyl)-5-(4-naphthalen-1-yltriazol-1-yl)oxane-3,4-diol.
What is the SMILES notation for 6-(6-aminohexoxy)-2-(hydroxymethyl)-5-(4-naphthalen-1-yltriazol-1-yl)oxane-3,4-diol?
The canonical SMILES for 6-(6-aminohexoxy)-2-(hydroxymethyl)-5-(4-naphthalen-1-yltriazol-1-yl)oxane-3,4-diol is NCCCCCCOC1OC(CO)C(O)C(O)C1n1cc(-c2cccc3ccccc23)nn1.
What is the InChIKey of 6-(6-aminohexoxy)-2-(hydroxymethyl)-5-(4-naphthalen-1-yltriazol-1-yl)oxane-3,4-diol?
The InChIKey is RYNGRHYMQXIKMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N4O5/c25-12-5-1-2-6-13-32-24-21(23(31)22(30)20(15-29)33-24)28-14-19(26-27-28)18-11-7-9-16-8-3-4-10-17(16)18/h3-4,7-11,14,20-24,29-31H,1-2,5-6,12-13,15,25H2.
What are the key properties of 6-(6-aminohexoxy)-2-(hydroxymethyl)-5-(4-naphthalen-1-yltriazol-1-yl)oxane-3,4-diol?
6-(6-aminohexoxy)-2-(hydroxymethyl)-5-(4-naphthalen-1-yltriazol-1-yl)oxane-3,4-diol has a molecular weight of 456.54 g/mol, XLogP of 1.61, 10 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(6-aminohexoxy)-2-(hydroxymethyl)-5-(4-naphthalen-1-yltriazol-1-yl)oxane-3,4-diol is sourced from PubChem (CID 146620607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).