N-[4,5-dihydroxy-6-(hydroxymethyl)-2-methoxyoxan-3-yl]-N-methylacetamide

C10H19NO6 — CID 22355526

IUPACN-[4,5-dihydroxy-6-(hydroxymethyl)-2-methoxyoxan-3-yl]-N-methylacetamide
SMILESCOC1OC(CO)C(O)C(O)C1N(C)C(C)=O
InChIInChI=1S/C10H19NO6/c1-5(13)11(2)7-9(15)8(14)6(4-12)17-10(7)16-3/h6-10,12,14-15H,4H2,1-3H3
InChIKeyYSEZPAADHSAMBE-UHFFFAOYSA-N
MW249.26 g/mol
LogP-2.08
Rot. Bonds3

About N-[4,5-dihydroxy-6-(hydroxymethyl)-2-methoxyoxan-3-yl]-N-methylacetamide

N-[4,5-dihydroxy-6-(hydroxymethyl)-2-methoxyoxan-3-yl]-N-methylacetamide (PubChem CID 22355526) has the molecular formula C10H19NO6 and a molecular weight of 249.26 g/mol. Its IUPAC name is N-[4,5-dihydroxy-6-(hydroxymethyl)-2-methoxyoxan-3-yl]-N-methylacetamide.

Molecular Properties

Compound NameN-[4,5-dihydroxy-6-(hydroxymethyl)-2-methoxyoxan-3-yl]-N-methylacetamide
PubChem CID22355526
Molecular FormulaC10H19NO6
Molecular Weight249.26 g/mol
Exact Mass249.12
IUPAC NameN-[4,5-dihydroxy-6-(hydroxymethyl)-2-methoxyoxan-3-yl]-N-methylacetamide
SMILESCOC1OC(CO)C(O)C(O)C1N(C)C(C)=O
InChIInChI=1S/C10H19NO6/c1-5(13)11(2)7-9(15)8(14)6(4-12)17-10(7)16-3/h6-10,12,14-15H,4H2,1-3H3
InChIKeyYSEZPAADHSAMBE-UHFFFAOYSA-N
XLogP-2.08
TPSA99.46 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.26
LogP ≤ 5-2.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[4,5-dihydroxy-6-(hydroxymethyl)-2-methoxyoxan-3-yl]-N-methylacetamide?
The IUPAC name of N-[4,5-dihydroxy-6-(hydroxymethyl)-2-methoxyoxan-3-yl]-N-methylacetamide (CID 22355526) is N-[4,5-dihydroxy-6-(hydroxymethyl)-2-methoxyoxan-3-yl]-N-methylacetamide.
What is the SMILES notation for N-[4,5-dihydroxy-6-(hydroxymethyl)-2-methoxyoxan-3-yl]-N-methylacetamide?
The canonical SMILES for N-[4,5-dihydroxy-6-(hydroxymethyl)-2-methoxyoxan-3-yl]-N-methylacetamide is COC1OC(CO)C(O)C(O)C1N(C)C(C)=O.
What is the InChIKey of N-[4,5-dihydroxy-6-(hydroxymethyl)-2-methoxyoxan-3-yl]-N-methylacetamide?
The InChIKey is YSEZPAADHSAMBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO6/c1-5(13)11(2)7-9(15)8(14)6(4-12)17-10(7)16-3/h6-10,12,14-15H,4H2,1-3H3.
What are the key properties of N-[4,5-dihydroxy-6-(hydroxymethyl)-2-methoxyoxan-3-yl]-N-methylacetamide?
N-[4,5-dihydroxy-6-(hydroxymethyl)-2-methoxyoxan-3-yl]-N-methylacetamide has a molecular weight of 249.26 g/mol, XLogP of -2.08, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4,5-dihydroxy-6-(hydroxymethyl)-2-methoxyoxan-3-yl]-N-methylacetamide is sourced from PubChem (CID 22355526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).