(5R)-5-[(1S)-1,2-dihydroxyethyl]-4-[3-hydroxy-1-(2-hydroxypropoxy)-2-octoxypropoxy]oxolane-2,3-dione

C20H36O10 — CID 90792660

IUPAC(5R)-5-[(1S)-1,2-dihydroxyethyl]-4-[3-hydroxy-1-(2-hydroxypropoxy)-2-octoxypropoxy]oxolane-2,3-dione
SMILESCCCCCCCCOC(CO)C(OCC(C)O)OC1C(=O)C(=O)O[C@@H]1[C@@H](O)CO
InChIInChI=1S/C20H36O10/c1-3-4-5-6-7-8-9-27-15(11-22)20(28-12-13(2)23)30-18-16(25)19(26)29-17(18)14(24)10-21/h13-15,17-18,20-24H,3-12H2,1-2H3/t13?,14-,15?,17+,18?,20?/m0/s1
InChIKeyLMOCMGQDWKGOAZ-IWYKQIDXSA-N
MW436.50 g/mol
LogP-0.32
Rot. Bonds17

About (5R)-5-[(1S)-1,2-dihydroxyethyl]-4-[3-hydroxy-1-(2-hydroxypropoxy)-2-octoxypropoxy]oxolane-2,3-dione

(5R)-5-[(1S)-1,2-dihydroxyethyl]-4-[3-hydroxy-1-(2-hydroxypropoxy)-2-octoxypropoxy]oxolane-2,3-dione (PubChem CID 90792660) has the molecular formula C20H36O10 and a molecular weight of 436.50 g/mol. Its IUPAC name is (5R)-5-[(1S)-1,2-dihydroxyethyl]-4-[3-hydroxy-1-(2-hydroxypropoxy)-2-octoxypropoxy]oxolane-2,3-dione.

Molecular Properties

Compound Name(5R)-5-[(1S)-1,2-dihydroxyethyl]-4-[3-hydroxy-1-(2-hydroxypropoxy)-2-octoxypropoxy]oxolane-2,3-dione
PubChem CID90792660
Molecular FormulaC20H36O10
Molecular Weight436.50 g/mol
Exact Mass436.23
IUPAC Name(5R)-5-[(1S)-1,2-dihydroxyethyl]-4-[3-hydroxy-1-(2-hydroxypropoxy)-2-octoxypropoxy]oxolane-2,3-dione
SMILESCCCCCCCCOC(CO)C(OCC(C)O)OC1C(=O)C(=O)O[C@@H]1[C@@H](O)CO
InChIInChI=1S/C20H36O10/c1-3-4-5-6-7-8-9-27-15(11-22)20(28-12-13(2)23)30-18-16(25)19(26)29-17(18)14(24)10-21/h13-15,17-18,20-24H,3-12H2,1-2H3/t13?,14-,15?,17+,18?,20?/m0/s1
InChIKeyLMOCMGQDWKGOAZ-IWYKQIDXSA-N
XLogP-0.32
TPSA151.98 Ų
H-Bond Donors4
H-Bond Acceptors10
Rotatable Bonds17
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.50
LogP ≤ 5-0.32
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze (5R)-5-[(1S)-1,2-dihydroxyethyl]-4-[3-hydroxy-1-(2-hydroxypropoxy)-2-octoxypropoxy]oxolane-2,3-dione 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

(5R)-5-[(1S)-1,2-dihydroxyethyl]-4-(3-dodecoxy-2-hydroxypropoxy)oxolane-2,3-dione
CID 91383268
(5R)-5-[(1S)-1,2-dihydroxyethyl]-4-silyloxyoxolane-2,3-dione
CID 123360045
(5R)-5-[(1S)-1,2-dihydroxyethyl]-4-(1,3-dihydroxy-3-methylpentoxy)oxolane-2,3-dione
CID 90799333
5-(1,2-dihydroxyethyl)-4-(3-ethoxy-2-hydroxypropoxy)oxolane-2,3-dione
CID 123865037
(2S,3S,4S,5R)-2,5-di(nonoxy)hexane-1,3,4,6-tetrol
CID 175531662
[2-hydroxy-2-(3-hydroxy-4,5-dioxooxolan-2-yl)ethyl] hexadecanoate
CID 146677340
bis[(2R)-2-[(1S)-1,2-dihydroxyethyl]-4,5-dioxooxolan-3-yl] hydrogen phosphate
CID 54319109
[(2R)-2-[(1S)-2-hydroxy-1-tetradecanoyloxyethyl]-4,5-dioxooxolan-3-yl] tetradecanoate
CID 54230123
(2S,3R)-2,4-di(nonoxy)butane-1,3-diol
CID 175531574
[(2R)-2-[(1S)-1,2-dihydroxyethyl]-4,5-dioxooxolan-3-yl] 2,3-dihexoxy-2,3-dihexyl-4,5,6,7,8,9,10-heptahydroxydecanoate
CID 91352957
potassium (2R)-2-[(1S)-1,2-dihydroxyethyl]-4-octadecoxy-5-oxo-2H-furan-3-olate
CID 140550032
3-amino-2-hexoxy-4-methoxybutan-1-ol
CID 114358118

Frequently Asked Questions

What is the IUPAC name of (5R)-5-[(1S)-1,2-dihydroxyethyl]-4-[3-hydroxy-1-(2-hydroxypropoxy)-2-octoxypropoxy]oxolane-2,3-dione?
The IUPAC name of (5R)-5-[(1S)-1,2-dihydroxyethyl]-4-[3-hydroxy-1-(2-hydroxypropoxy)-2-octoxypropoxy]oxolane-2,3-dione (CID 90792660) is (5R)-5-[(1S)-1,2-dihydroxyethyl]-4-[3-hydroxy-1-(2-hydroxypropoxy)-2-octoxypropoxy]oxolane-2,3-dione.
What is the SMILES notation for (5R)-5-[(1S)-1,2-dihydroxyethyl]-4-[3-hydroxy-1-(2-hydroxypropoxy)-2-octoxypropoxy]oxolane-2,3-dione?
The canonical SMILES for (5R)-5-[(1S)-1,2-dihydroxyethyl]-4-[3-hydroxy-1-(2-hydroxypropoxy)-2-octoxypropoxy]oxolane-2,3-dione is CCCCCCCCOC(CO)C(OCC(C)O)OC1C(=O)C(=O)O[C@@H]1[C@@H](O)CO.
What is the InChIKey of (5R)-5-[(1S)-1,2-dihydroxyethyl]-4-[3-hydroxy-1-(2-hydroxypropoxy)-2-octoxypropoxy]oxolane-2,3-dione?
The InChIKey is LMOCMGQDWKGOAZ-IWYKQIDXSA-N. The full InChI is InChI=1S/C20H36O10/c1-3-4-5-6-7-8-9-27-15(11-22)20(28-12-13(2)23)30-18-16(25)19(26)29-17(18)14(24)10-21/h13-15,17-18,20-24H,3-12H2,1-2H3/t13?,14-,15?,17+,18?,20?/m0/s1.
What are the key properties of (5R)-5-[(1S)-1,2-dihydroxyethyl]-4-[3-hydroxy-1-(2-hydroxypropoxy)-2-octoxypropoxy]oxolane-2,3-dione?
(5R)-5-[(1S)-1,2-dihydroxyethyl]-4-[3-hydroxy-1-(2-hydroxypropoxy)-2-octoxypropoxy]oxolane-2,3-dione has a molecular weight of 436.50 g/mol, XLogP of -0.32, 17 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-[(1S)-1,2-dihydroxyethyl]-4-[3-hydroxy-1-(2-hydroxypropoxy)-2-octoxypropoxy]oxolane-2,3-dione is sourced from PubChem (CID 90792660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).