(2R)-2-hydroxy-N-[(2S,3S,4R)-1,3,4-trihydroxyoctadecan-2-yl]decanamide

C28H57NO5 — CID 172866735

IUPAC(2R)-2-hydroxy-N-[(2S,3S,4R)-1,3,4-trihydroxyoctadecan-2-yl]decanamide
SMILESCCCCCCCCCCCCCC[C@@H](O)[C@@H](O)[C@H](CO)NC(=O)[C@H](O)CCCCCCCC
InChIInChI=1S/C28H57NO5/c1-3-5-7-9-11-12-13-14-15-16-18-19-21-25(31)27(33)24(23-30)29-28(34)26(32)22-20-17-10-8-6-4-2/h24-27,30-33H,3-23H2,1-2H3,(H,29,34)/t24-,25+,26+,27-/m0/s1
InChIKeySDBXWPQQCRWGGF-YAOOYPAMSA-N
MW487.77 g/mol
LogP5.39
Rot. Bonds25

About (2R)-2-hydroxy-N-[(2S,3S,4R)-1,3,4-trihydroxyoctadecan-2-yl]decanamide

(2R)-2-hydroxy-N-[(2S,3S,4R)-1,3,4-trihydroxyoctadecan-2-yl]decanamide (PubChem CID 172866735) has the molecular formula C28H57NO5 and a molecular weight of 487.77 g/mol. Its IUPAC name is (2R)-2-hydroxy-N-[(2S,3S,4R)-1,3,4-trihydroxyoctadecan-2-yl]decanamide.

Molecular Properties

Compound Name(2R)-2-hydroxy-N-[(2S,3S,4R)-1,3,4-trihydroxyoctadecan-2-yl]decanamide
PubChem CID172866735
Molecular FormulaC28H57NO5
Molecular Weight487.77 g/mol
Exact Mass487.42
IUPAC Name(2R)-2-hydroxy-N-[(2S,3S,4R)-1,3,4-trihydroxyoctadecan-2-yl]decanamide
SMILESCCCCCCCCCCCCCC[C@@H](O)[C@@H](O)[C@H](CO)NC(=O)[C@H](O)CCCCCCCC
InChIInChI=1S/C28H57NO5/c1-3-5-7-9-11-12-13-14-15-16-18-19-21-25(31)27(33)24(23-30)29-28(34)26(32)22-20-17-10-8-6-4-2/h24-27,30-33H,3-23H2,1-2H3,(H,29,34)/t24-,25+,26+,27-/m0/s1
InChIKeySDBXWPQQCRWGGF-YAOOYPAMSA-N
XLogP5.39
TPSA110.02 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds25
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500487.77
LogP ≤ 55.39
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-hydroxy-N-[(3S,4R)-1,3,4-trihydroxyoctadecan-2-yl]octadecanamide
CID 102517280
2-hydroxy-N-(1,3,4-trihydroxyhexacosan-2-yl)tetratriacontanamide
CID 138228294
(2S)-2-hydroxy-N-[(2S,3S,4R)-1,3,4-trihydroxyheptadecan-2-yl]tetracosanamide
CID 172866804
2-hydroxy-N-(1,3,4-trihydroxyhenicosan-2-yl)tetradecanamide
CID 138161048
2-hydroxy-N-(1,3,4-trihydroxynonadecan-2-yl)tritriacontanamide
CID 138177247
2-hydroxy-N-(1,3,4-trihydroxytricosan-2-yl)dotetracontanamide
CID 138212924
2-hydroxy-N-(1,3,4-trihydroxynonacosan-2-yl)octacosanamide
CID 138251637
2-hydroxy-N-[(2S,3S,4R)-1,3,4-trihydroxyoctadecan-2-yl]hentriacontanamide
CID 171119537
2-hydroxy-N-(1,3,4-trihydroxytricosan-2-yl)pentatriacontanamide
CID 138278438
2-hydroxy-N-(1,3,4-trihydroxynonadecan-2-yl)hentriacontanamide
CID 138120768
2-hydroxy-N-[(2S,3S,4R)-1,3,4-trihydroxyoctadecan-2-yl]nonacosanamide
CID 102003015
2-hydroxy-N-(1,3,4-trihydroxytetradecan-2-yl)tetracosanamide
CID 138234145

Frequently Asked Questions

What is the IUPAC name of (2R)-2-hydroxy-N-[(2S,3S,4R)-1,3,4-trihydroxyoctadecan-2-yl]decanamide?
The IUPAC name of (2R)-2-hydroxy-N-[(2S,3S,4R)-1,3,4-trihydroxyoctadecan-2-yl]decanamide (CID 172866735) is (2R)-2-hydroxy-N-[(2S,3S,4R)-1,3,4-trihydroxyoctadecan-2-yl]decanamide.
What is the SMILES notation for (2R)-2-hydroxy-N-[(2S,3S,4R)-1,3,4-trihydroxyoctadecan-2-yl]decanamide?
The canonical SMILES for (2R)-2-hydroxy-N-[(2S,3S,4R)-1,3,4-trihydroxyoctadecan-2-yl]decanamide is CCCCCCCCCCCCCC[C@@H](O)[C@@H](O)[C@H](CO)NC(=O)[C@H](O)CCCCCCCC.
What is the InChIKey of (2R)-2-hydroxy-N-[(2S,3S,4R)-1,3,4-trihydroxyoctadecan-2-yl]decanamide?
The InChIKey is SDBXWPQQCRWGGF-YAOOYPAMSA-N. The full InChI is InChI=1S/C28H57NO5/c1-3-5-7-9-11-12-13-14-15-16-18-19-21-25(31)27(33)24(23-30)29-28(34)26(32)22-20-17-10-8-6-4-2/h24-27,30-33H,3-23H2,1-2H3,(H,29,34)/t24-,25+,26+,27-/m0/s1.
What are the key properties of (2R)-2-hydroxy-N-[(2S,3S,4R)-1,3,4-trihydroxyoctadecan-2-yl]decanamide?
(2R)-2-hydroxy-N-[(2S,3S,4R)-1,3,4-trihydroxyoctadecan-2-yl]decanamide has a molecular weight of 487.77 g/mol, XLogP of 5.39, 25 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-hydroxy-N-[(2S,3S,4R)-1,3,4-trihydroxyoctadecan-2-yl]decanamide is sourced from PubChem (CID 172866735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).