sodium;hydride;(2R,3S,4R,5S)-2-(hydroxymethyl)oxane-3,4,5-triol;octadecan-1-amine

C24H52NNaO5 — CID 173298395

IUPACsodium;hydride;(2R,3S,4R,5S)-2-(hydroxymethyl)oxane-3,4,5-triol;octadecan-1-amine
SMILESCCCCCCCCCCCCCCCCCCN.OC[C@H]1OC[C@H](O)[C@@H](O)[C@@H]1O.[H-].[Na+]
InChIInChI=1S/C18H39N.C6H12O5.Na.H/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19;7-1-4-6(10)5(9)3(8)2-11-4;;/h2-19H2,1H3;3-10H,1-2H2;;/q;;+1;-1/t;3-,4+,5+,6+;;/m.0../s1
InChIKeySDKNMJWCZUYPAT-SZRPRPAPSA-N
MW457.67 g/mol
LogP0.78
Rot. Bonds17

About sodium;hydride;(2R,3S,4R,5S)-2-(hydroxymethyl)oxane-3,4,5-triol;octadecan-1-amine

sodium;hydride;(2R,3S,4R,5S)-2-(hydroxymethyl)oxane-3,4,5-triol;octadecan-1-amine (PubChem CID 173298395) has the molecular formula C24H52NNaO5 and a molecular weight of 457.67 g/mol. Its IUPAC name is sodium;hydride;(2R,3S,4R,5S)-2-(hydroxymethyl)oxane-3,4,5-triol;octadecan-1-amine.

Molecular Properties

Compound Namesodium;hydride;(2R,3S,4R,5S)-2-(hydroxymethyl)oxane-3,4,5-triol;octadecan-1-amine
PubChem CID173298395
Molecular FormulaC24H52NNaO5
Molecular Weight457.67 g/mol
Exact Mass457.37
IUPAC Namesodium;hydride;(2R,3S,4R,5S)-2-(hydroxymethyl)oxane-3,4,5-triol;octadecan-1-amine
SMILESCCCCCCCCCCCCCCCCCCN.OC[C@H]1OC[C@H](O)[C@@H](O)[C@@H]1O.[H-].[Na+]
InChIInChI=1S/C18H39N.C6H12O5.Na.H/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19;7-1-4-6(10)5(9)3(8)2-11-4;;/h2-19H2,1H3;3-10H,1-2H2;;/q;;+1;-1/t;3-,4+,5+,6+;;/m.0../s1
InChIKeySDKNMJWCZUYPAT-SZRPRPAPSA-N
XLogP0.78
TPSA116.17 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds17
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.67
LogP ≤ 50.78
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze sodium;hydride;(2R,3S,4R,5S)-2-(hydroxymethyl)oxane-3,4,5-triol;octadecan-1-amine with MolForge

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Related Compounds

(2S,3R,4R,5R)-2-(hydroxymethyl)oxane-3,4,5-triol
CID 6102335
(3R,4R)-2-(hydroxymethyl)oxane-3,4,5-triol
CID 59922885
ethane;2-(hydroxymethyl)oxolane-3,4-diol
CID 168985261
(3R,4R,5S,6R)-3-amino-6-(hydroxymethyl)oxane-2,4,5-triol;dodecan-1-amine
CID 175042893
(2S,3R,4S,5S)-2-ethyloxane-3,4,5-triol
CID 134180059
(2R,4R,5S)-2-ethyloxane-3,4,5-triol
CID 121360500
6-(hydroxymethyl)oxane-2,3,4,5-tetrol;heptakis(2-(hydroxymethyl)oxane-3,4,5-triol)
CID 171703405
[(2S,3S,4S)-3,4-dihydroxyoxolan-2-yl]methyl hexanoate
CID 129219609
[(2R,3R,4R)-3,4-dihydroxyoxolan-2-yl]methyl hexanoate
CID 129219584
(2R,3S,4S)-2-(hydroxymethyl)oxolane-3,4-diol;methanesulfonic acid
CID 173247961
2-[2-(octylamino)propyl]oxane-3,4,5-triol
CID 75150516
2-[2-(hexadecylamino)propyl]oxane-3,4,5-triol
CID 75150480

Frequently Asked Questions

What is the IUPAC name of sodium;hydride;(2R,3S,4R,5S)-2-(hydroxymethyl)oxane-3,4,5-triol;octadecan-1-amine?
The IUPAC name of sodium;hydride;(2R,3S,4R,5S)-2-(hydroxymethyl)oxane-3,4,5-triol;octadecan-1-amine (CID 173298395) is sodium;hydride;(2R,3S,4R,5S)-2-(hydroxymethyl)oxane-3,4,5-triol;octadecan-1-amine.
What is the SMILES notation for sodium;hydride;(2R,3S,4R,5S)-2-(hydroxymethyl)oxane-3,4,5-triol;octadecan-1-amine?
The canonical SMILES for sodium;hydride;(2R,3S,4R,5S)-2-(hydroxymethyl)oxane-3,4,5-triol;octadecan-1-amine is CCCCCCCCCCCCCCCCCCN.OC[C@H]1OC[C@H](O)[C@@H](O)[C@@H]1O.[H-].[Na+].
What is the InChIKey of sodium;hydride;(2R,3S,4R,5S)-2-(hydroxymethyl)oxane-3,4,5-triol;octadecan-1-amine?
The InChIKey is SDKNMJWCZUYPAT-SZRPRPAPSA-N. The full InChI is InChI=1S/C18H39N.C6H12O5.Na.H/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19;7-1-4-6(10)5(9)3(8)2-11-4;;/h2-19H2,1H3;3-10H,1-2H2;;/q;;+1;-1/t;3-,4+,5+,6+;;/m.0../s1.
What are the key properties of sodium;hydride;(2R,3S,4R,5S)-2-(hydroxymethyl)oxane-3,4,5-triol;octadecan-1-amine?
sodium;hydride;(2R,3S,4R,5S)-2-(hydroxymethyl)oxane-3,4,5-triol;octadecan-1-amine has a molecular weight of 457.67 g/mol, XLogP of 0.78, 17 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;hydride;(2R,3S,4R,5S)-2-(hydroxymethyl)oxane-3,4,5-triol;octadecan-1-amine is sourced from PubChem (CID 173298395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).