(2R)-2-[(2R,5S)-5-[(2S)-2-[(2R)-2-[(2R,5S)-5-[(2S)-2-hydroxybutyl]oxolan-2-yl]propanoyl]oxypropyl]oxolan-2-yl]propanoic acid

C21H36O7 — CID 51693103

IUPAC(2R)-2-[(2R,5S)-5-[(2S)-2-[(2R)-2-[(2R,5S)-5-[(2S)-2-hydroxybutyl]oxolan-2-yl]propanoyl]oxypropyl]oxolan-2-yl]propanoic acid
SMILESCC[C@H](O)C[C@@H]1CC[C@H]([C@@H](C)C(=O)O[C@@H](C)C[C@@H]2CC[C@H]([C@@H](C)C(=O)O)O2)O1
InChIInChI=1S/C21H36O7/c1-5-15(22)11-17-7-9-19(28-17)14(4)21(25)26-12(2)10-16-6-8-18(27-16)13(3)20(23)24/h12-19,22H,5-11H2,1-4H3,(H,23,24)/t12-,13+,14+,15-,16-,17-,18+,19+/m0/s1
InChIKeyJZCRGJSEBZCNAR-OGRVKZHLSA-N
MW400.51 g/mol
LogP2.92
Rot. Bonds10

About (2R)-2-[(2R,5S)-5-[(2S)-2-[(2R)-2-[(2R,5S)-5-[(2S)-2-hydroxybutyl]oxolan-2-yl]propanoyl]oxypropyl]oxolan-2-yl]propanoic acid

(2R)-2-[(2R,5S)-5-[(2S)-2-[(2R)-2-[(2R,5S)-5-[(2S)-2-hydroxybutyl]oxolan-2-yl]propanoyl]oxypropyl]oxolan-2-yl]propanoic acid (PubChem CID 51693103) has the molecular formula C21H36O7 and a molecular weight of 400.51 g/mol. Its IUPAC name is (2R)-2-[(2R,5S)-5-[(2S)-2-[(2R)-2-[(2R,5S)-5-[(2S)-2-hydroxybutyl]oxolan-2-yl]propanoyl]oxypropyl]oxolan-2-yl]propanoic acid.

Molecular Properties

Compound Name(2R)-2-[(2R,5S)-5-[(2S)-2-[(2R)-2-[(2R,5S)-5-[(2S)-2-hydroxybutyl]oxolan-2-yl]propanoyl]oxypropyl]oxolan-2-yl]propanoic acid
PubChem CID51693103
Molecular FormulaC21H36O7
Molecular Weight400.51 g/mol
Exact Mass400.25
IUPAC Name(2R)-2-[(2R,5S)-5-[(2S)-2-[(2R)-2-[(2R,5S)-5-[(2S)-2-hydroxybutyl]oxolan-2-yl]propanoyl]oxypropyl]oxolan-2-yl]propanoic acid
SMILESCC[C@H](O)C[C@@H]1CC[C@H]([C@@H](C)C(=O)O[C@@H](C)C[C@@H]2CC[C@H]([C@@H](C)C(=O)O)O2)O1
InChIInChI=1S/C21H36O7/c1-5-15(22)11-17-7-9-19(28-17)14(4)21(25)26-12(2)10-16-6-8-18(27-16)13(3)20(23)24/h12-19,22H,5-11H2,1-4H3,(H,23,24)/t12-,13+,14+,15-,16-,17-,18+,19+/m0/s1
InChIKeyJZCRGJSEBZCNAR-OGRVKZHLSA-N
XLogP2.92
TPSA102.29 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.51
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze (2R)-2-[(2R,5S)-5-[(2S)-2-[(2R)-2-[(2R,5S)-5-[(2S)-2-hydroxybutyl]oxolan-2-yl]propanoyl]oxypropyl]oxolan-2-yl]propanoic acid with MolForge

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Launch Full Analysis

Related Compounds

(2R)-2-[(2R,5S)-5-[(2S)-2-[(2R)-2-[(2R,5S)-5-[(2S)-2-hydroxybutyl]oxolan-2-yl]propanoyl]oxybutyl]oxolan-2-yl]propanoic acid
CID 51693111
2-[5-[2-[2-[5-(2-hydroxybutyl)oxolan-2-yl]propanoyloxy]butyl]oxolan-2-yl]propanoic acid
CID 23872033
(2S)-2-[(2S,5R)-5-[(2R)-2-[(2R)-2-[(2R,5S)-5-[(2S)-2-[(2S)-2-[(2S,5R)-5-[(2R)-2-[(2R)-2-[(2R,5S)-5-[(2S)-2-hydroxypropyl]oxolan-2-yl]propanoyl]oxypropyl]oxolan-2-yl]propanoyl]oxypropyl]oxolan-2-yl]propanoyl]oxypropyl]oxolan-2-yl]propanoic acid
CID 135023644
(2S)-2-[(2R,5S)-5-[(2R)-2-[(2R)-2-[(2R,5R)-5-(2-oxopropyl)oxolan-2-yl]propanoyl]oxybutyl]oxolan-2-yl]propanoic acid
CID 163029794
(2R)-2-[(2S,5R)-5-[(2S)-2-hydroxypropyl]oxolan-2-yl]propanoic acid
CID 26183486
methyl (2S)-2-[(2S,5R)-5-[(2R)-2-[(2R)-2-hydroxy-2-phenylacetyl]oxypropyl]oxolan-2-yl]propanoate
CID 11175534
(2R)-2-[(2R,5S)-5-[(2R)-2-hydroxy-3-methylbutyl]oxolan-2-yl]propanoic acid
CID 51683760
tert-butyl (2S)-2-[(2R,5S)-5-[(2S)-2-hydroxypentyl]oxolan-2-yl]propanoate
CID 11161978
methyl 2-[5-(2-hydroxy(113C)propyl)(513C)oxolan-2-yl]propanoate
CID 101161874
methyl (2S)-2-[(2R,5S)-5-[(2S)-2-hydroxypentyl]oxolan-2-yl]butanoate
CID 10264496
methyl 2-[(2S,6S)-6-(hydroxymethyl)oxan-2-yl]propanoate
CID 67669823
[(2R)-1-[(2R,5S)-5-[(2R)-1-[4-(cyclopentylmethyl)triazol-1-yl]propan-2-yl]oxolan-2-yl]propan-2-yl] benzoate
CID 24812459

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(2R,5S)-5-[(2S)-2-[(2R)-2-[(2R,5S)-5-[(2S)-2-hydroxybutyl]oxolan-2-yl]propanoyl]oxypropyl]oxolan-2-yl]propanoic acid?
The IUPAC name of (2R)-2-[(2R,5S)-5-[(2S)-2-[(2R)-2-[(2R,5S)-5-[(2S)-2-hydroxybutyl]oxolan-2-yl]propanoyl]oxypropyl]oxolan-2-yl]propanoic acid (CID 51693103) is (2R)-2-[(2R,5S)-5-[(2S)-2-[(2R)-2-[(2R,5S)-5-[(2S)-2-hydroxybutyl]oxolan-2-yl]propanoyl]oxypropyl]oxolan-2-yl]propanoic acid.
What is the SMILES notation for (2R)-2-[(2R,5S)-5-[(2S)-2-[(2R)-2-[(2R,5S)-5-[(2S)-2-hydroxybutyl]oxolan-2-yl]propanoyl]oxypropyl]oxolan-2-yl]propanoic acid?
The canonical SMILES for (2R)-2-[(2R,5S)-5-[(2S)-2-[(2R)-2-[(2R,5S)-5-[(2S)-2-hydroxybutyl]oxolan-2-yl]propanoyl]oxypropyl]oxolan-2-yl]propanoic acid is CC[C@H](O)C[C@@H]1CC[C@H]([C@@H](C)C(=O)O[C@@H](C)C[C@@H]2CC[C@H]([C@@H](C)C(=O)O)O2)O1.
What is the InChIKey of (2R)-2-[(2R,5S)-5-[(2S)-2-[(2R)-2-[(2R,5S)-5-[(2S)-2-hydroxybutyl]oxolan-2-yl]propanoyl]oxypropyl]oxolan-2-yl]propanoic acid?
The InChIKey is JZCRGJSEBZCNAR-OGRVKZHLSA-N. The full InChI is InChI=1S/C21H36O7/c1-5-15(22)11-17-7-9-19(28-17)14(4)21(25)26-12(2)10-16-6-8-18(27-16)13(3)20(23)24/h12-19,22H,5-11H2,1-4H3,(H,23,24)/t12-,13+,14+,15-,16-,17-,18+,19+/m0/s1.
What are the key properties of (2R)-2-[(2R,5S)-5-[(2S)-2-[(2R)-2-[(2R,5S)-5-[(2S)-2-hydroxybutyl]oxolan-2-yl]propanoyl]oxypropyl]oxolan-2-yl]propanoic acid?
(2R)-2-[(2R,5S)-5-[(2S)-2-[(2R)-2-[(2R,5S)-5-[(2S)-2-hydroxybutyl]oxolan-2-yl]propanoyl]oxypropyl]oxolan-2-yl]propanoic acid has a molecular weight of 400.51 g/mol, XLogP of 2.92, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(2R,5S)-5-[(2S)-2-[(2R)-2-[(2R,5S)-5-[(2S)-2-hydroxybutyl]oxolan-2-yl]propanoyl]oxypropyl]oxolan-2-yl]propanoic acid is sourced from PubChem (CID 51693103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).