sodium;(2R,3R,4R,5S)-2-[(1S)-1,2-dihydroxyethyl]-5-tetradecoxyoxolane-3,4-diol;hydride

C20H41NaO6 — CID 173338676

IUPACsodium;(2R,3R,4R,5S)-2-[(1S)-1,2-dihydroxyethyl]-5-tetradecoxyoxolane-3,4-diol;hydride
SMILESCCCCCCCCCCCCCCO[C@H]1O[C@H]([C@@H](O)CO)[C@H](O)[C@H]1O.[H-].[Na+]
InChIInChI=1S/C20H40O6.Na.H/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-25-20-18(24)17(23)19(26-20)16(22)15-21;;/h16-24H,2-15H2,1H3;;/q;+1;-1/t16-,17+,18+,19+,20-;;/m0../s1
InChIKeyVISGARCEKBXZRX-IZGKYYHJSA-N
MW400.53 g/mol
LogP-0.38
Rot. Bonds16

About sodium;(2R,3R,4R,5S)-2-[(1S)-1,2-dihydroxyethyl]-5-tetradecoxyoxolane-3,4-diol;hydride

sodium;(2R,3R,4R,5S)-2-[(1S)-1,2-dihydroxyethyl]-5-tetradecoxyoxolane-3,4-diol;hydride (PubChem CID 173338676) has the molecular formula C20H41NaO6 and a molecular weight of 400.53 g/mol. Its IUPAC name is sodium;(2R,3R,4R,5S)-2-[(1S)-1,2-dihydroxyethyl]-5-tetradecoxyoxolane-3,4-diol;hydride.

Molecular Properties

Compound Namesodium;(2R,3R,4R,5S)-2-[(1S)-1,2-dihydroxyethyl]-5-tetradecoxyoxolane-3,4-diol;hydride
PubChem CID173338676
Molecular FormulaC20H41NaO6
Molecular Weight400.53 g/mol
Exact Mass400.28
IUPAC Namesodium;(2R,3R,4R,5S)-2-[(1S)-1,2-dihydroxyethyl]-5-tetradecoxyoxolane-3,4-diol;hydride
SMILESCCCCCCCCCCCCCCO[C@H]1O[C@H]([C@@H](O)CO)[C@H](O)[C@H]1O.[H-].[Na+]
InChIInChI=1S/C20H40O6.Na.H/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-25-20-18(24)17(23)19(26-20)16(22)15-21;;/h16-24H,2-15H2,1H3;;/q;+1;-1/t16-,17+,18+,19+,20-;;/m0../s1
InChIKeyVISGARCEKBXZRX-IZGKYYHJSA-N
XLogP-0.38
TPSA99.38 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds16
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.53
LogP ≤ 5-0.38
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

(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,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,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
(2R,3R,4R,5R)-2-[(1S)-2-fluoro-1-hydroxyethyl]-5-octoxyoxolane-3,4-diol
CID 11687942
sodium;(2S,3R,4R,5R)-2-[(1R)-1,2-dihydroxyethyl]-5-ethoxyoxolane-3,4-diol;hydride
CID 173327837
(2S)-2-[(2R,3R,4R,5S)-5-decoxy-3,4-dihydroxyoxolan-2-yl]-2-hydroxyacetic acid
CID 57306370
(2S)-2-[(2S,3R,4R,5R)-5-dodecoxy-3,4-dihydroxyoxolan-2-yl]-2-hydroxyacetic acid
CID 10882980
(2S,3R,4S,5S)-3-decoxy-5-[(1R)-1,2-dihydroxyethyl]oxolane-2,4-diol
CID 70171890
(3R,4R,5R)-2-(1,2-dihydroxyethyl)-5-[1-[(3S,4R,5R)-3,4-dimethoxy-5-octoxyoxolan-2-yl]-2-methoxyethoxy]oxolane-3,4-diol
CID 509038
sodium (2S,3R,4S,5S)-3-decoxy-5-[(1R)-1,2-dihydroxyethyl]-4-hydroxyoxolan-2-olate
CID 70171889

Frequently Asked Questions

What is the IUPAC name of sodium;(2R,3R,4R,5S)-2-[(1S)-1,2-dihydroxyethyl]-5-tetradecoxyoxolane-3,4-diol;hydride?
The IUPAC name of sodium;(2R,3R,4R,5S)-2-[(1S)-1,2-dihydroxyethyl]-5-tetradecoxyoxolane-3,4-diol;hydride (CID 173338676) is sodium;(2R,3R,4R,5S)-2-[(1S)-1,2-dihydroxyethyl]-5-tetradecoxyoxolane-3,4-diol;hydride.
What is the SMILES notation for sodium;(2R,3R,4R,5S)-2-[(1S)-1,2-dihydroxyethyl]-5-tetradecoxyoxolane-3,4-diol;hydride?
The canonical SMILES for sodium;(2R,3R,4R,5S)-2-[(1S)-1,2-dihydroxyethyl]-5-tetradecoxyoxolane-3,4-diol;hydride is CCCCCCCCCCCCCCO[C@H]1O[C@H]([C@@H](O)CO)[C@H](O)[C@H]1O.[H-].[Na+].
What is the InChIKey of sodium;(2R,3R,4R,5S)-2-[(1S)-1,2-dihydroxyethyl]-5-tetradecoxyoxolane-3,4-diol;hydride?
The InChIKey is VISGARCEKBXZRX-IZGKYYHJSA-N. The full InChI is InChI=1S/C20H40O6.Na.H/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-25-20-18(24)17(23)19(26-20)16(22)15-21;;/h16-24H,2-15H2,1H3;;/q;+1;-1/t16-,17+,18+,19+,20-;;/m0../s1.
What are the key properties of sodium;(2R,3R,4R,5S)-2-[(1S)-1,2-dihydroxyethyl]-5-tetradecoxyoxolane-3,4-diol;hydride?
sodium;(2R,3R,4R,5S)-2-[(1S)-1,2-dihydroxyethyl]-5-tetradecoxyoxolane-3,4-diol;hydride has a molecular weight of 400.53 g/mol, XLogP of -0.38, 16 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;(2R,3R,4R,5S)-2-[(1S)-1,2-dihydroxyethyl]-5-tetradecoxyoxolane-3,4-diol;hydride is sourced from PubChem (CID 173338676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).