N-[(2S,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2S,4S,5R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]-N-ethylacetamide

C16H29NO11 — CID 59202442

IUPACN-[(2S,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2S,4S,5R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]-N-ethylacetamide
SMILESCCN(C(C)=O)[C@H]1O[C@H](CO)[C@@H](O[C@@H]2OC(CO)[C@H](O)[C@H](O)C2O)C(O)C1O
InChIInChI=1S/C16H29NO11/c1-3-17(6(2)20)15-12(24)11(23)14(8(5-19)26-15)28-16-13(25)10(22)9(21)7(4-18)27-16/h7-16,18-19,21-25H,3-5H2,1-2H3/t7?,8-,9+,10+,11?,12?,13?,14-,15+,16+/m1/s1
InChIKeyVIULBCASCASJLL-LVRDMNLVSA-N
MW411.40 g/mol
LogP-4.52
Rot. Bonds6

About N-[(2S,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2S,4S,5R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]-N-ethylacetamide

N-[(2S,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2S,4S,5R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]-N-ethylacetamide (PubChem CID 59202442) has the molecular formula C16H29NO11 and a molecular weight of 411.40 g/mol. Its IUPAC name is N-[(2S,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2S,4S,5R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]-N-ethylacetamide.

Molecular Properties

Compound NameN-[(2S,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2S,4S,5R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]-N-ethylacetamide
PubChem CID59202442
Molecular FormulaC16H29NO11
Molecular Weight411.40 g/mol
Exact Mass411.17
IUPAC NameN-[(2S,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2S,4S,5R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]-N-ethylacetamide
SMILESCCN(C(C)=O)[C@H]1O[C@H](CO)[C@@H](O[C@@H]2OC(CO)[C@H](O)[C@H](O)C2O)C(O)C1O
InChIInChI=1S/C16H29NO11/c1-3-17(6(2)20)15-12(24)11(23)14(8(5-19)26-15)28-16-13(25)10(22)9(21)7(4-18)27-16/h7-16,18-19,21-25H,3-5H2,1-2H3/t7?,8-,9+,10+,11?,12?,13?,14-,15+,16+/m1/s1
InChIKeyVIULBCASCASJLL-LVRDMNLVSA-N
XLogP-4.52
TPSA189.61 Ų
H-Bond Donors7
H-Bond Acceptors11
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500411.40
LogP ≤ 5-4.52
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1011

Analyze N-[(2S,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2S,4S,5R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]-N-ethylacetamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[(2S,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2S,4S,5R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]-N-ethylacetamide?
The IUPAC name of N-[(2S,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2S,4S,5R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]-N-ethylacetamide (CID 59202442) is N-[(2S,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2S,4S,5R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]-N-ethylacetamide.
What is the SMILES notation for N-[(2S,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2S,4S,5R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]-N-ethylacetamide?
The canonical SMILES for N-[(2S,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2S,4S,5R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]-N-ethylacetamide is CCN(C(C)=O)[C@H]1O[C@H](CO)[C@@H](O[C@@H]2OC(CO)[C@H](O)[C@H](O)C2O)C(O)C1O.
What is the InChIKey of N-[(2S,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2S,4S,5R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]-N-ethylacetamide?
The InChIKey is VIULBCASCASJLL-LVRDMNLVSA-N. The full InChI is InChI=1S/C16H29NO11/c1-3-17(6(2)20)15-12(24)11(23)14(8(5-19)26-15)28-16-13(25)10(22)9(21)7(4-18)27-16/h7-16,18-19,21-25H,3-5H2,1-2H3/t7?,8-,9+,10+,11?,12?,13?,14-,15+,16+/m1/s1.
What are the key properties of N-[(2S,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2S,4S,5R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]-N-ethylacetamide?
N-[(2S,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2S,4S,5R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]-N-ethylacetamide has a molecular weight of 411.40 g/mol, XLogP of -4.52, 6 rotatable bonds, 7 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2S,4S,5R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]-N-ethylacetamide is sourced from PubChem (CID 59202442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).