N-[(2S,3S,4R,5S,6R)-2-[2-(2-ethoxyethoxy)ethyl]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide

C14H27NO7 — CID 91568358

IUPACN-[(2S,3S,4R,5S,6R)-2-[2-(2-ethoxyethoxy)ethyl]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
SMILESCCOCCOCC[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1NC(C)=O
InChIInChI=1S/C14H27NO7/c1-3-20-6-7-21-5-4-10-12(15-9(2)17)14(19)13(18)11(8-16)22-10/h10-14,16,18-19H,3-8H2,1-2H3,(H,15,17)/t10-,11+,12+,13+,14+/m0/s1
InChIKeyUYVXHLHLARKOMA-RYMFRWLXSA-N
MW321.37 g/mol
LogP-1.58
Rot. Bonds9

About N-[(2S,3S,4R,5S,6R)-2-[2-(2-ethoxyethoxy)ethyl]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide

N-[(2S,3S,4R,5S,6R)-2-[2-(2-ethoxyethoxy)ethyl]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide (PubChem CID 91568358) has the molecular formula C14H27NO7 and a molecular weight of 321.37 g/mol. Its IUPAC name is N-[(2S,3S,4R,5S,6R)-2-[2-(2-ethoxyethoxy)ethyl]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide.

Molecular Properties

Compound NameN-[(2S,3S,4R,5S,6R)-2-[2-(2-ethoxyethoxy)ethyl]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
PubChem CID91568358
Molecular FormulaC14H27NO7
Molecular Weight321.37 g/mol
Exact Mass321.18
IUPAC NameN-[(2S,3S,4R,5S,6R)-2-[2-(2-ethoxyethoxy)ethyl]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
SMILESCCOCCOCC[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1NC(C)=O
InChIInChI=1S/C14H27NO7/c1-3-20-6-7-21-5-4-10-12(15-9(2)17)14(19)13(18)11(8-16)22-10/h10-14,16,18-19H,3-8H2,1-2H3,(H,15,17)/t10-,11+,12+,13+,14+/m0/s1
InChIKeyUYVXHLHLARKOMA-RYMFRWLXSA-N
XLogP-1.58
TPSA117.48 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.37
LogP ≤ 5-1.58
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(2S,3S,4R,5S,6R)-2-[2-(2-ethoxyethoxy)ethyl]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide?
The IUPAC name of N-[(2S,3S,4R,5S,6R)-2-[2-(2-ethoxyethoxy)ethyl]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide (CID 91568358) is N-[(2S,3S,4R,5S,6R)-2-[2-(2-ethoxyethoxy)ethyl]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide.
What is the SMILES notation for N-[(2S,3S,4R,5S,6R)-2-[2-(2-ethoxyethoxy)ethyl]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide?
The canonical SMILES for N-[(2S,3S,4R,5S,6R)-2-[2-(2-ethoxyethoxy)ethyl]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide is CCOCCOCC[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1NC(C)=O.
What is the InChIKey of N-[(2S,3S,4R,5S,6R)-2-[2-(2-ethoxyethoxy)ethyl]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide?
The InChIKey is UYVXHLHLARKOMA-RYMFRWLXSA-N. The full InChI is InChI=1S/C14H27NO7/c1-3-20-6-7-21-5-4-10-12(15-9(2)17)14(19)13(18)11(8-16)22-10/h10-14,16,18-19H,3-8H2,1-2H3,(H,15,17)/t10-,11+,12+,13+,14+/m0/s1.
What are the key properties of N-[(2S,3S,4R,5S,6R)-2-[2-(2-ethoxyethoxy)ethyl]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide?
N-[(2S,3S,4R,5S,6R)-2-[2-(2-ethoxyethoxy)ethyl]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide has a molecular weight of 321.37 g/mol, XLogP of -1.58, 9 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S,3S,4R,5S,6R)-2-[2-(2-ethoxyethoxy)ethyl]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide is sourced from PubChem (CID 91568358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).