(1R)-1-[(2S,3R,4S,5S)-3-hydroxy-5-octoxy-4-phenylmethoxyoxolan-2-yl]ethane-1,2-diol

C21H34O6 — CID 15946241

IUPAC(1R)-1-[(2S,3R,4S,5S)-3-hydroxy-5-octoxy-4-phenylmethoxyoxolan-2-yl]ethane-1,2-diol
SMILESCCCCCCCCO[C@H]1O[C@@H]([C@H](O)CO)[C@@H](O)[C@@H]1OCc1ccccc1
InChIInChI=1S/C21H34O6/c1-2-3-4-5-6-10-13-25-21-20(18(24)19(27-21)17(23)14-22)26-15-16-11-8-7-9-12-16/h7-9,11-12,17-24H,2-6,10,13-15H2,1H3/t17-,18-,19+,20+,21+/m1/s1
InChIKeyIVSYSXXEFCGZHL-MJCUULBUSA-N
MW382.50 g/mol
LogP2.39
Rot. Bonds13

About (1R)-1-[(2S,3R,4S,5S)-3-hydroxy-5-octoxy-4-phenylmethoxyoxolan-2-yl]ethane-1,2-diol

(1R)-1-[(2S,3R,4S,5S)-3-hydroxy-5-octoxy-4-phenylmethoxyoxolan-2-yl]ethane-1,2-diol (PubChem CID 15946241) has the molecular formula C21H34O6 and a molecular weight of 382.50 g/mol. Its IUPAC name is (1R)-1-[(2S,3R,4S,5S)-3-hydroxy-5-octoxy-4-phenylmethoxyoxolan-2-yl]ethane-1,2-diol.

Molecular Properties

Compound Name(1R)-1-[(2S,3R,4S,5S)-3-hydroxy-5-octoxy-4-phenylmethoxyoxolan-2-yl]ethane-1,2-diol
PubChem CID15946241
Molecular FormulaC21H34O6
Molecular Weight382.50 g/mol
Exact Mass382.24
IUPAC Name(1R)-1-[(2S,3R,4S,5S)-3-hydroxy-5-octoxy-4-phenylmethoxyoxolan-2-yl]ethane-1,2-diol
SMILESCCCCCCCCO[C@H]1O[C@@H]([C@H](O)CO)[C@@H](O)[C@@H]1OCc1ccccc1
InChIInChI=1S/C21H34O6/c1-2-3-4-5-6-10-13-25-21-20(18(24)19(27-21)17(23)14-22)26-15-16-11-8-7-9-12-16/h7-9,11-12,17-24H,2-6,10,13-15H2,1H3/t17-,18-,19+,20+,21+/m1/s1
InChIKeyIVSYSXXEFCGZHL-MJCUULBUSA-N
XLogP2.39
TPSA88.38 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds13
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.50
LogP ≤ 52.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze (1R)-1-[(2S,3R,4S,5S)-3-hydroxy-5-octoxy-4-phenylmethoxyoxolan-2-yl]ethane-1,2-diol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R,3R,4S,5S)-2-octoxy-3,4-bis(phenylmethoxy)-5-[(1R)-1-phenylmethoxyethyl]oxolane
CID 11364815
(4R,5R)-2-octadecoxy-4,5-bis(phenylmethoxy)oxan-3-ol
CID 102410238
(2R,3R,4R,5R)-2-[(1R)-1,2-dihydroxyethyl]-5-octoxyoxolane-3,4-diol
CID 66988484
(2R,3R,4R,5S)-2-[(1S)-1,2-dihydroxyethyl]-5-octoxyoxolane-3,4-diol
CID 66988485
(2R,3R,4S,5R)-2-[(1R)-1,2-dihydroxyethyl]-5-dodecoxyoxolane-3,4-diol
CID 11382473
(2S,3R,4S,5S)-3-decoxy-5-[(1R)-1,2-dihydroxyethyl]oxolane-2,4-diol
CID 70171890
sodium;(2R,3R,4R,5S)-2-[(1S)-1,2-dihydroxyethyl]-5-tetradecoxyoxolane-3,4-diol;hydride
CID 173338676
1-[5-methoxy-3,4-bis(phenylmethoxy)oxolan-2-yl]ethane-1,2-diol
CID 563648
(1R)-1-[(2S,3S,4R,5R)-5-methoxy-3,4-bis(phenylmethoxy)oxolan-2-yl]ethane-1,2-diol
CID 22215147
sodium (2S,3R,4S,5S)-3-decoxy-5-[(1R)-1,2-dihydroxyethyl]-4-hydroxyoxolan-2-olate
CID 70171889
(2S,3R,4R,5R)-2-[(1S)-1,2-dihydroxyethyl]-5-[(2S)-2-[(2S,3R,4R,5R)-3,4-dihydroxy-5-octoxyoxolan-2-yl]-2-hydroxyethoxy]oxolane-3,4-diol
CID 10004100
(2R,3R,4S,5R)-2-decoxy-3,4,5-tris(phenylmethoxy)oxane
CID 102422537

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[(2S,3R,4S,5S)-3-hydroxy-5-octoxy-4-phenylmethoxyoxolan-2-yl]ethane-1,2-diol?
The IUPAC name of (1R)-1-[(2S,3R,4S,5S)-3-hydroxy-5-octoxy-4-phenylmethoxyoxolan-2-yl]ethane-1,2-diol (CID 15946241) is (1R)-1-[(2S,3R,4S,5S)-3-hydroxy-5-octoxy-4-phenylmethoxyoxolan-2-yl]ethane-1,2-diol.
What is the SMILES notation for (1R)-1-[(2S,3R,4S,5S)-3-hydroxy-5-octoxy-4-phenylmethoxyoxolan-2-yl]ethane-1,2-diol?
The canonical SMILES for (1R)-1-[(2S,3R,4S,5S)-3-hydroxy-5-octoxy-4-phenylmethoxyoxolan-2-yl]ethane-1,2-diol is CCCCCCCCO[C@H]1O[C@@H]([C@H](O)CO)[C@@H](O)[C@@H]1OCc1ccccc1.
What is the InChIKey of (1R)-1-[(2S,3R,4S,5S)-3-hydroxy-5-octoxy-4-phenylmethoxyoxolan-2-yl]ethane-1,2-diol?
The InChIKey is IVSYSXXEFCGZHL-MJCUULBUSA-N. The full InChI is InChI=1S/C21H34O6/c1-2-3-4-5-6-10-13-25-21-20(18(24)19(27-21)17(23)14-22)26-15-16-11-8-7-9-12-16/h7-9,11-12,17-24H,2-6,10,13-15H2,1H3/t17-,18-,19+,20+,21+/m1/s1.
What are the key properties of (1R)-1-[(2S,3R,4S,5S)-3-hydroxy-5-octoxy-4-phenylmethoxyoxolan-2-yl]ethane-1,2-diol?
(1R)-1-[(2S,3R,4S,5S)-3-hydroxy-5-octoxy-4-phenylmethoxyoxolan-2-yl]ethane-1,2-diol has a molecular weight of 382.50 g/mol, XLogP of 2.39, 13 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[(2S,3R,4S,5S)-3-hydroxy-5-octoxy-4-phenylmethoxyoxolan-2-yl]ethane-1,2-diol is sourced from PubChem (CID 15946241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).