sodium;(2S,3R,4S,5R,6R)-2-decoxy-6-(hydroxymethyl)oxane-3,4,5-triol;hydride

C16H33NaO6 — CID 173271818

IUPACsodium;(2S,3R,4S,5R,6R)-2-decoxy-6-(hydroxymethyl)oxane-3,4,5-triol;hydride
SMILESCCCCCCCCCCO[C@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O.[H-].[Na+]
InChIInChI=1S/C16H32O6.Na.H/c1-2-3-4-5-6-7-8-9-10-21-16-15(20)14(19)13(18)12(11-17)22-16;;/h12-20H,2-11H2,1H3;;/q;+1;-1/t12-,13+,14+,15-,16+;;/m1../s1
InChIKeyKGTZKQFOSPYISY-IEVPIDTHSA-N
MW344.42 g/mol
LogP-1.94
Rot. Bonds11

About sodium;(2S,3R,4S,5R,6R)-2-decoxy-6-(hydroxymethyl)oxane-3,4,5-triol;hydride

sodium;(2S,3R,4S,5R,6R)-2-decoxy-6-(hydroxymethyl)oxane-3,4,5-triol;hydride (PubChem CID 173271818) has the molecular formula C16H33NaO6 and a molecular weight of 344.42 g/mol. Its IUPAC name is sodium;(2S,3R,4S,5R,6R)-2-decoxy-6-(hydroxymethyl)oxane-3,4,5-triol;hydride.

Molecular Properties

Compound Namesodium;(2S,3R,4S,5R,6R)-2-decoxy-6-(hydroxymethyl)oxane-3,4,5-triol;hydride
PubChem CID173271818
Molecular FormulaC16H33NaO6
Molecular Weight344.42 g/mol
Exact Mass344.22
IUPAC Namesodium;(2S,3R,4S,5R,6R)-2-decoxy-6-(hydroxymethyl)oxane-3,4,5-triol;hydride
SMILESCCCCCCCCCCO[C@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O.[H-].[Na+]
InChIInChI=1S/C16H32O6.Na.H/c1-2-3-4-5-6-7-8-9-10-21-16-15(20)14(19)13(18)12(11-17)22-16;;/h12-20H,2-11H2,1H3;;/q;+1;-1/t12-,13+,14+,15-,16+;;/m1../s1
InChIKeyKGTZKQFOSPYISY-IEVPIDTHSA-N
XLogP-1.94
TPSA99.38 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.42
LogP ≤ 5-1.94
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

(2S,3R,4S,5R,6R)-2-dodecoxy-6-(hydroxymethyl)oxane-3,4,5-triol
CID 11854119
(2R,3S,4S,5S,6S)-2-(hydroxymethyl)-6-nonoxyoxane-3,4,5-triol
CID 67410580
(3R,4S,5R,6R)-2-decoxy-6-(hydroxymethyl)oxane-3,4,5-triol
CID 22879297
(2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-octadecoxyoxane-3,4,5-triol
CID 54350959
(2R,3R,4R,5R,6R)-2-(hydroxymethyl)-6-octoxyoxane-3,4,5-triol
CID 67412174
(3R,4R,5R,6R)-2-hexoxy-6-(hydroxymethyl)oxane-3,4,5-triol
CID 12986433
(2R,3R,4S,5S,6R)-2-heptadecoxy-6-(hydroxymethyl)oxane-3,4,5-triol
CID 98052270
(2R,3R,4R,5R,6R)-2-hexoxy-6-(hydroxymethyl)oxane-3,4,5-triol
CID 67411650
2-decoxy-5-(hydroxymethyl)oxolane-3,4-diol
CID 77183328
(2R,3R,4S,5R)-2-dodecoxy-5-(hydroxymethyl)oxolane-3,4-diol
CID 101009516
(3S,6R)-2-(hydroxymethyl)-6-octoxyoxane-3,4,5-triol
CID 126757882
(3S,5S,6R)-2-(hydroxymethyl)-6-octadecoxyoxane-3,4,5-triol
CID 121392259

Frequently Asked Questions

What is the IUPAC name of sodium;(2S,3R,4S,5R,6R)-2-decoxy-6-(hydroxymethyl)oxane-3,4,5-triol;hydride?
The IUPAC name of sodium;(2S,3R,4S,5R,6R)-2-decoxy-6-(hydroxymethyl)oxane-3,4,5-triol;hydride (CID 173271818) is sodium;(2S,3R,4S,5R,6R)-2-decoxy-6-(hydroxymethyl)oxane-3,4,5-triol;hydride.
What is the SMILES notation for sodium;(2S,3R,4S,5R,6R)-2-decoxy-6-(hydroxymethyl)oxane-3,4,5-triol;hydride?
The canonical SMILES for sodium;(2S,3R,4S,5R,6R)-2-decoxy-6-(hydroxymethyl)oxane-3,4,5-triol;hydride is CCCCCCCCCCO[C@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O.[H-].[Na+].
What is the InChIKey of sodium;(2S,3R,4S,5R,6R)-2-decoxy-6-(hydroxymethyl)oxane-3,4,5-triol;hydride?
The InChIKey is KGTZKQFOSPYISY-IEVPIDTHSA-N. The full InChI is InChI=1S/C16H32O6.Na.H/c1-2-3-4-5-6-7-8-9-10-21-16-15(20)14(19)13(18)12(11-17)22-16;;/h12-20H,2-11H2,1H3;;/q;+1;-1/t12-,13+,14+,15-,16+;;/m1../s1.
What are the key properties of sodium;(2S,3R,4S,5R,6R)-2-decoxy-6-(hydroxymethyl)oxane-3,4,5-triol;hydride?
sodium;(2S,3R,4S,5R,6R)-2-decoxy-6-(hydroxymethyl)oxane-3,4,5-triol;hydride has a molecular weight of 344.42 g/mol, XLogP of -1.94, 11 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;(2S,3R,4S,5R,6R)-2-decoxy-6-(hydroxymethyl)oxane-3,4,5-triol;hydride is sourced from PubChem (CID 173271818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).