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

C10H19NO6 — CID 54524541

IUPACN-[(3R,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-methoxyoxan-3-yl]-N-methylacetamide
SMILESCOC1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1N(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/t6-,7-,8-,9-,10?/m1/s1
InChIKeyYSEZPAADHSAMBE-WWGUJXLXSA-N
MW249.26 g/mol
LogP-2.08
Rot. Bonds3

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

N-[(3R,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-methoxyoxan-3-yl]-N-methylacetamide (PubChem CID 54524541) has the molecular formula C10H19NO6 and a molecular weight of 249.26 g/mol. Its IUPAC name is N-[(3R,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-methoxyoxan-3-yl]-N-methylacetamide.

Molecular Properties

Compound NameN-[(3R,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-methoxyoxan-3-yl]-N-methylacetamide
PubChem CID54524541
Molecular FormulaC10H19NO6
Molecular Weight249.26 g/mol
Exact Mass249.12
IUPAC NameN-[(3R,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-methoxyoxan-3-yl]-N-methylacetamide
SMILESCOC1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1N(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/t6-,7-,8-,9-,10?/m1/s1
InChIKeyYSEZPAADHSAMBE-WWGUJXLXSA-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-[(3R,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-methoxyoxan-3-yl]-N-methylacetamide?
The IUPAC name of N-[(3R,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-methoxyoxan-3-yl]-N-methylacetamide (CID 54524541) is N-[(3R,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-methoxyoxan-3-yl]-N-methylacetamide.
What is the SMILES notation for N-[(3R,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-methoxyoxan-3-yl]-N-methylacetamide?
The canonical SMILES for N-[(3R,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-methoxyoxan-3-yl]-N-methylacetamide is COC1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1N(C)C(C)=O.
What is the InChIKey of N-[(3R,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-methoxyoxan-3-yl]-N-methylacetamide?
The InChIKey is YSEZPAADHSAMBE-WWGUJXLXSA-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/t6-,7-,8-,9-,10?/m1/s1.
What are the key properties of N-[(3R,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-methoxyoxan-3-yl]-N-methylacetamide?
N-[(3R,4R,5S,6R)-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-[(3R,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-methoxyoxan-3-yl]-N-methylacetamide is sourced from PubChem (CID 54524541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).