(2R,3S,4R,5R)-2,4,5,6-tetrahydroxy-3-(8-quinolin-6-yloxyoctoxy)hexanal

C23H33NO7 — CID 166517546

IUPAC(2R,3S,4R,5R)-2,4,5,6-tetrahydroxy-3-(8-quinolin-6-yloxyoctoxy)hexanal
SMILESO=C[C@H](O)[C@@H](OCCCCCCCCOc1ccc2ncccc2c1)[C@H](O)[C@H](O)CO
InChIInChI=1S/C23H33NO7/c25-15-20(27)22(29)23(21(28)16-26)31-13-6-4-2-1-3-5-12-30-18-9-10-19-17(14-18)8-7-11-24-19/h7-11,14,16,20-23,25,27-29H,1-6,12-13,15H2/t20-,21+,22-,23-/m1/s1
InChIKeyXLWPCNWINDKSCB-KAOXLYBCSA-N
MW435.52 g/mol
LogP1.61
Rot. Bonds16

About (2R,3S,4R,5R)-2,4,5,6-tetrahydroxy-3-(8-quinolin-6-yloxyoctoxy)hexanal

(2R,3S,4R,5R)-2,4,5,6-tetrahydroxy-3-(8-quinolin-6-yloxyoctoxy)hexanal (PubChem CID 166517546) has the molecular formula C23H33NO7 and a molecular weight of 435.52 g/mol. Its IUPAC name is (2R,3S,4R,5R)-2,4,5,6-tetrahydroxy-3-(8-quinolin-6-yloxyoctoxy)hexanal.

Molecular Properties

Compound Name(2R,3S,4R,5R)-2,4,5,6-tetrahydroxy-3-(8-quinolin-6-yloxyoctoxy)hexanal
PubChem CID166517546
Molecular FormulaC23H33NO7
Molecular Weight435.52 g/mol
Exact Mass435.23
IUPAC Name(2R,3S,4R,5R)-2,4,5,6-tetrahydroxy-3-(8-quinolin-6-yloxyoctoxy)hexanal
SMILESO=C[C@H](O)[C@@H](OCCCCCCCCOc1ccc2ncccc2c1)[C@H](O)[C@H](O)CO
InChIInChI=1S/C23H33NO7/c25-15-20(27)22(29)23(21(28)16-26)31-13-6-4-2-1-3-5-12-30-18-9-10-19-17(14-18)8-7-11-24-19/h7-11,14,16,20-23,25,27-29H,1-6,12-13,15H2/t20-,21+,22-,23-/m1/s1
InChIKeyXLWPCNWINDKSCB-KAOXLYBCSA-N
XLogP1.61
TPSA129.34 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds16
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.52
LogP ≤ 51.61
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze (2R,3S,4R,5R)-2,4,5,6-tetrahydroxy-3-(8-quinolin-6-yloxyoctoxy)hexanal with MolForge

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Related Compounds

6-tridecoxyquinoline
CID 174908858
2-amino-5-quinolin-6-yloxypentanoic acid
CID 112519211
6-quinolin-7-yloxyhexan-1-ol
CID 107705479
2-methyl-N-(2-quinolin-6-yloxyethyl)propanamide
CID 113102128
2,4,5,6-tetrahydroxy-3-phenylmethoxyhexanal
CID 561693
quinolin-6-yl formate
CID 57289431
6-prop-2-enoxyquinoline
CID 21107330
(2R,3R,4S,5S,6R)-6-(hydroxymethyl)-3-(9-quinolin-6-yloxynonoxy)oxane-2,4,5-triol
CID 166703720
(3R,4S,5R,6R)-6-(hydroxymethyl)-4-(10-quinolin-6-yloxydecoxy)oxane-2,3,5-triol
CID 166517573
[4-(quinolin-6-yloxymethyl)phenyl]methanol
CID 110005974
4-(2-quinolin-6-yloxyethoxy)benzonitrile
CID 56799582
phenyl-[4-(3-quinolin-6-yloxypropyl)piperazin-1-yl]methanone
CID 45272100

Frequently Asked Questions

What is the IUPAC name of (2R,3S,4R,5R)-2,4,5,6-tetrahydroxy-3-(8-quinolin-6-yloxyoctoxy)hexanal?
The IUPAC name of (2R,3S,4R,5R)-2,4,5,6-tetrahydroxy-3-(8-quinolin-6-yloxyoctoxy)hexanal (CID 166517546) is (2R,3S,4R,5R)-2,4,5,6-tetrahydroxy-3-(8-quinolin-6-yloxyoctoxy)hexanal.
What is the SMILES notation for (2R,3S,4R,5R)-2,4,5,6-tetrahydroxy-3-(8-quinolin-6-yloxyoctoxy)hexanal?
The canonical SMILES for (2R,3S,4R,5R)-2,4,5,6-tetrahydroxy-3-(8-quinolin-6-yloxyoctoxy)hexanal is O=C[C@H](O)[C@@H](OCCCCCCCCOc1ccc2ncccc2c1)[C@H](O)[C@H](O)CO.
What is the InChIKey of (2R,3S,4R,5R)-2,4,5,6-tetrahydroxy-3-(8-quinolin-6-yloxyoctoxy)hexanal?
The InChIKey is XLWPCNWINDKSCB-KAOXLYBCSA-N. The full InChI is InChI=1S/C23H33NO7/c25-15-20(27)22(29)23(21(28)16-26)31-13-6-4-2-1-3-5-12-30-18-9-10-19-17(14-18)8-7-11-24-19/h7-11,14,16,20-23,25,27-29H,1-6,12-13,15H2/t20-,21+,22-,23-/m1/s1.
What are the key properties of (2R,3S,4R,5R)-2,4,5,6-tetrahydroxy-3-(8-quinolin-6-yloxyoctoxy)hexanal?
(2R,3S,4R,5R)-2,4,5,6-tetrahydroxy-3-(8-quinolin-6-yloxyoctoxy)hexanal has a molecular weight of 435.52 g/mol, XLogP of 1.61, 16 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,4R,5R)-2,4,5,6-tetrahydroxy-3-(8-quinolin-6-yloxyoctoxy)hexanal is sourced from PubChem (CID 166517546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).