(5R)-5-[(2R,5S)-5-[(2R,5S)-5-[(1S)-1-hydroxy-4-phenylmethoxybutyl]oxolan-2-yl]oxolan-2-yl]oxolan-2-one

C23H32O6 — CID 11188896

IUPAC(5R)-5-[(2R,5S)-5-[(2R,5S)-5-[(1S)-1-hydroxy-4-phenylmethoxybutyl]oxolan-2-yl]oxolan-2-yl]oxolan-2-one
SMILESO=C1CC[C@H]([C@H]2CC[C@@H]([C@H]3CC[C@@H]([C@@H](O)CCCOCc4ccccc4)O3)O2)O1
InChIInChI=1S/C23H32O6/c24-17(7-4-14-26-15-16-5-2-1-3-6-16)18-8-9-19(27-18)20-10-11-21(28-20)22-12-13-23(25)29-22/h1-3,5-6,17-22,24H,4,7-15H2/t17-,18-,19+,20-,21+,22+/m0/s1
InChIKeyAQJOLFDOLKLMQU-ZOJFBHTKSA-N
MW404.50 g/mol
LogP3.15
Rot. Bonds9

About (5R)-5-[(2R,5S)-5-[(2R,5S)-5-[(1S)-1-hydroxy-4-phenylmethoxybutyl]oxolan-2-yl]oxolan-2-yl]oxolan-2-one

(5R)-5-[(2R,5S)-5-[(2R,5S)-5-[(1S)-1-hydroxy-4-phenylmethoxybutyl]oxolan-2-yl]oxolan-2-yl]oxolan-2-one (PubChem CID 11188896) has the molecular formula C23H32O6 and a molecular weight of 404.50 g/mol. Its IUPAC name is (5R)-5-[(2R,5S)-5-[(2R,5S)-5-[(1S)-1-hydroxy-4-phenylmethoxybutyl]oxolan-2-yl]oxolan-2-yl]oxolan-2-one.

Molecular Properties

Compound Name(5R)-5-[(2R,5S)-5-[(2R,5S)-5-[(1S)-1-hydroxy-4-phenylmethoxybutyl]oxolan-2-yl]oxolan-2-yl]oxolan-2-one
PubChem CID11188896
Molecular FormulaC23H32O6
Molecular Weight404.50 g/mol
Exact Mass404.22
IUPAC Name(5R)-5-[(2R,5S)-5-[(2R,5S)-5-[(1S)-1-hydroxy-4-phenylmethoxybutyl]oxolan-2-yl]oxolan-2-yl]oxolan-2-one
SMILESO=C1CC[C@H]([C@H]2CC[C@@H]([C@H]3CC[C@@H]([C@@H](O)CCCOCc4ccccc4)O3)O2)O1
InChIInChI=1S/C23H32O6/c24-17(7-4-14-26-15-16-5-2-1-3-6-16)18-8-9-19(27-18)20-10-11-21(28-20)22-12-13-23(25)29-22/h1-3,5-6,17-22,24H,4,7-15H2/t17-,18-,19+,20-,21+,22+/m0/s1
InChIKeyAQJOLFDOLKLMQU-ZOJFBHTKSA-N
XLogP3.15
TPSA74.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.50
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze (5R)-5-[(2R,5S)-5-[(2R,5S)-5-[(1S)-1-hydroxy-4-phenylmethoxybutyl]oxolan-2-yl]oxolan-2-yl]oxolan-2-one with MolForge

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Launch Full Analysis

Related Compounds

(5S)-5-[(2S,5S)-5-[(2S,5S)-5-[(1R)-1-hydroxy-4-phenylmethoxybutyl]oxolan-2-yl]oxolan-2-yl]oxolan-2-one
CID 11177177
(5S)-5-[(2S,5R)-5-[(E,1S)-1-hydroxy-8-phenylmethoxyoct-4-enyl]oxolan-2-yl]oxolan-2-one
CID 11153460
(5R)-5-[(2S,5S)-5-[(E,1R)-1-hydroxy-8-phenylmethoxyoct-4-enyl]oxolan-2-yl]oxolan-2-one
CID 11440640
(1R)-1-[(2R,5R)-5-(phenylmethoxymethyl)oxolan-2-yl]undecan-1-ol
CID 11545059
(2S,3aS,5R,6aR)-5-[(1S)-1-bromo-4-phenylmethoxybutyl]-2-[(1R)-1-bromopropyl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan
CID 71484247
(5S)-5-[(1R)-1-iodo-2-phenylmethoxyethyl]oxolan-2-one
CID 11382390
(5S)-5-[(1R)-1-hydroxy-2-phenylethyl]oxolan-2-one
CID 10867470
1-phenyl-4-phenylmethoxybutan-1-ol
CID 101407523
1-cyclopropyl-4-phenylmethoxybutan-1-amine
CID 130537024
1-fluoro-5-phenylmethoxypentan-2-ol
CID 14003295
(2S)-5-phenylmethoxypentane-1,2-diol
CID 11106627
(1R)-1-[(2R,5S)-5-[(2R,5S)-5-[(1S)-1-hydroxy-6-(4-propylphenoxy)hexyl]oxolan-2-yl]oxolan-2-yl]-6-(4-propylphenoxy)hexan-1-ol
CID 102153010

Frequently Asked Questions

What is the IUPAC name of (5R)-5-[(2R,5S)-5-[(2R,5S)-5-[(1S)-1-hydroxy-4-phenylmethoxybutyl]oxolan-2-yl]oxolan-2-yl]oxolan-2-one?
The IUPAC name of (5R)-5-[(2R,5S)-5-[(2R,5S)-5-[(1S)-1-hydroxy-4-phenylmethoxybutyl]oxolan-2-yl]oxolan-2-yl]oxolan-2-one (CID 11188896) is (5R)-5-[(2R,5S)-5-[(2R,5S)-5-[(1S)-1-hydroxy-4-phenylmethoxybutyl]oxolan-2-yl]oxolan-2-yl]oxolan-2-one.
What is the SMILES notation for (5R)-5-[(2R,5S)-5-[(2R,5S)-5-[(1S)-1-hydroxy-4-phenylmethoxybutyl]oxolan-2-yl]oxolan-2-yl]oxolan-2-one?
The canonical SMILES for (5R)-5-[(2R,5S)-5-[(2R,5S)-5-[(1S)-1-hydroxy-4-phenylmethoxybutyl]oxolan-2-yl]oxolan-2-yl]oxolan-2-one is O=C1CC[C@H]([C@H]2CC[C@@H]([C@H]3CC[C@@H]([C@@H](O)CCCOCc4ccccc4)O3)O2)O1.
What is the InChIKey of (5R)-5-[(2R,5S)-5-[(2R,5S)-5-[(1S)-1-hydroxy-4-phenylmethoxybutyl]oxolan-2-yl]oxolan-2-yl]oxolan-2-one?
The InChIKey is AQJOLFDOLKLMQU-ZOJFBHTKSA-N. The full InChI is InChI=1S/C23H32O6/c24-17(7-4-14-26-15-16-5-2-1-3-6-16)18-8-9-19(27-18)20-10-11-21(28-20)22-12-13-23(25)29-22/h1-3,5-6,17-22,24H,4,7-15H2/t17-,18-,19+,20-,21+,22+/m0/s1.
What are the key properties of (5R)-5-[(2R,5S)-5-[(2R,5S)-5-[(1S)-1-hydroxy-4-phenylmethoxybutyl]oxolan-2-yl]oxolan-2-yl]oxolan-2-one?
(5R)-5-[(2R,5S)-5-[(2R,5S)-5-[(1S)-1-hydroxy-4-phenylmethoxybutyl]oxolan-2-yl]oxolan-2-yl]oxolan-2-one has a molecular weight of 404.50 g/mol, XLogP of 3.15, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-[(2R,5S)-5-[(2R,5S)-5-[(1S)-1-hydroxy-4-phenylmethoxybutyl]oxolan-2-yl]oxolan-2-yl]oxolan-2-one is sourced from PubChem (CID 11188896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).