(2S,3R,4S,5S)-3-decoxy-5-[(1R)-1,2-dihydroxyethyl]oxolane-2,4-diol

C16H32O6 — CID 70171890

IUPAC(2S,3R,4S,5S)-3-decoxy-5-[(1R)-1,2-dihydroxyethyl]oxolane-2,4-diol
SMILESCCCCCCCCCCO[C@@H]1[C@@H](O)[C@H]([C@H](O)CO)O[C@@H]1O
InChIInChI=1S/C16H32O6/c1-2-3-4-5-6-7-8-9-10-21-15-13(19)14(12(18)11-17)22-16(15)20/h12-20H,2-11H2,1H3/t12-,13+,14+,15-,16+/m1/s1
InChIKeyWXVUFQDDOLIXHO-CWVYHPPDSA-N
MW320.43 g/mol
LogP0.94
Rot. Bonds12

About (2S,3R,4S,5S)-3-decoxy-5-[(1R)-1,2-dihydroxyethyl]oxolane-2,4-diol

(2S,3R,4S,5S)-3-decoxy-5-[(1R)-1,2-dihydroxyethyl]oxolane-2,4-diol (PubChem CID 70171890) has the molecular formula C16H32O6 and a molecular weight of 320.43 g/mol. Its IUPAC name is (2S,3R,4S,5S)-3-decoxy-5-[(1R)-1,2-dihydroxyethyl]oxolane-2,4-diol.

Molecular Properties

Compound Name(2S,3R,4S,5S)-3-decoxy-5-[(1R)-1,2-dihydroxyethyl]oxolane-2,4-diol
PubChem CID70171890
Molecular FormulaC16H32O6
Molecular Weight320.43 g/mol
Exact Mass320.22
IUPAC Name(2S,3R,4S,5S)-3-decoxy-5-[(1R)-1,2-dihydroxyethyl]oxolane-2,4-diol
SMILESCCCCCCCCCCO[C@@H]1[C@@H](O)[C@H]([C@H](O)CO)O[C@@H]1O
InChIInChI=1S/C16H32O6/c1-2-3-4-5-6-7-8-9-10-21-15-13(19)14(12(18)11-17)22-16(15)20/h12-20H,2-11H2,1H3/t12-,13+,14+,15-,16+/m1/s1
InChIKeyWXVUFQDDOLIXHO-CWVYHPPDSA-N
XLogP0.94
TPSA99.38 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.43
LogP ≤ 50.94
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze (2S,3R,4S,5S)-3-decoxy-5-[(1R)-1,2-dihydroxyethyl]oxolane-2,4-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

sodium (2S,3R,4S,5S)-3-decoxy-5-[(1R)-1,2-dihydroxyethyl]-4-hydroxyoxolan-2-olate
CID 70171889
(2R,3R,4S,5R)-2-[(1R)-1,2-dihydroxyethyl]-5-dodecoxyoxolane-3,4-diol
CID 11382473
(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
sodium;(2R,3R,4R,5S)-2-[(1S)-1,2-dihydroxyethyl]-5-tetradecoxyoxolane-3,4-diol;hydride
CID 173338676
(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
(2S,3R,4S,5S)-5-[(1R)-1,2-dihydroxyethyl]-3-methoxyoxolane-2,4-diol
CID 102594810
(1R)-1-[(2S,3R,4S,5S)-3-hydroxy-5-octoxy-4-phenylmethoxyoxolan-2-yl]ethane-1,2-diol
CID 15946241
(2S,3R,4R,5R)-2-[(1R)-1,2-dihydroxyethyl]-5-[(1R)-1-[(2R,3R,4R,5R)-3,4-dihydroxy-5-octoxyoxolan-2-yl]-2-hydroxyethoxy]oxolane-3,4-diol
CID 102407270
(3R,4S,5R,6R)-6-(hydroxymethyl)-4-undecoxyoxane-2,3,5-triol
CID 13365350
(2R,3R,4R,5R)-2-[(1S)-2-fluoro-1-hydroxyethyl]-5-octoxyoxolane-3,4-diol
CID 11687942
(2S,3S,4S,5S,6S)-3-butoxy-6-(hydroxymethyl)oxane-2,4,5-triol
CID 146216378

Frequently Asked Questions

What is the IUPAC name of (2S,3R,4S,5S)-3-decoxy-5-[(1R)-1,2-dihydroxyethyl]oxolane-2,4-diol?
The IUPAC name of (2S,3R,4S,5S)-3-decoxy-5-[(1R)-1,2-dihydroxyethyl]oxolane-2,4-diol (CID 70171890) is (2S,3R,4S,5S)-3-decoxy-5-[(1R)-1,2-dihydroxyethyl]oxolane-2,4-diol.
What is the SMILES notation for (2S,3R,4S,5S)-3-decoxy-5-[(1R)-1,2-dihydroxyethyl]oxolane-2,4-diol?
The canonical SMILES for (2S,3R,4S,5S)-3-decoxy-5-[(1R)-1,2-dihydroxyethyl]oxolane-2,4-diol is CCCCCCCCCCO[C@@H]1[C@@H](O)[C@H]([C@H](O)CO)O[C@@H]1O.
What is the InChIKey of (2S,3R,4S,5S)-3-decoxy-5-[(1R)-1,2-dihydroxyethyl]oxolane-2,4-diol?
The InChIKey is WXVUFQDDOLIXHO-CWVYHPPDSA-N. The full InChI is InChI=1S/C16H32O6/c1-2-3-4-5-6-7-8-9-10-21-15-13(19)14(12(18)11-17)22-16(15)20/h12-20H,2-11H2,1H3/t12-,13+,14+,15-,16+/m1/s1.
What are the key properties of (2S,3R,4S,5S)-3-decoxy-5-[(1R)-1,2-dihydroxyethyl]oxolane-2,4-diol?
(2S,3R,4S,5S)-3-decoxy-5-[(1R)-1,2-dihydroxyethyl]oxolane-2,4-diol has a molecular weight of 320.43 g/mol, XLogP of 0.94, 12 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R,4S,5S)-3-decoxy-5-[(1R)-1,2-dihydroxyethyl]oxolane-2,4-diol is sourced from PubChem (CID 70171890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).