[(2S,3R,4R,5R)-2-[acetyl(methyl)amino]-5-acetyloxy-3,4,6-trimethoxyhexyl] acetate

C16H29NO8 — CID 14019723

IUPAC[(2S,3R,4R,5R)-2-[acetyl(methyl)amino]-5-acetyloxy-3,4,6-trimethoxyhexyl] acetate
SMILESCOC[C@@H](OC(C)=O)[C@H](OC)[C@H](OC)[C@H](COC(C)=O)N(C)C(C)=O
InChIInChI=1S/C16H29NO8/c1-10(18)17(4)13(8-24-11(2)19)15(22-6)16(23-7)14(9-21-5)25-12(3)20/h13-16H,8-9H2,1-7H3/t13-,14+,15+,16-/m0/s1
InChIKeyVQVCINYAHOCEMY-JJXSEGSLSA-N
MW363.41 g/mol
LogP0.00
Rot. Bonds11

About [(2S,3R,4R,5R)-2-[acetyl(methyl)amino]-5-acetyloxy-3,4,6-trimethoxyhexyl] acetate

[(2S,3R,4R,5R)-2-[acetyl(methyl)amino]-5-acetyloxy-3,4,6-trimethoxyhexyl] acetate (PubChem CID 14019723) has the molecular formula C16H29NO8 and a molecular weight of 363.41 g/mol. Its IUPAC name is [(2S,3R,4R,5R)-2-[acetyl(methyl)amino]-5-acetyloxy-3,4,6-trimethoxyhexyl] acetate.

Molecular Properties

Compound Name[(2S,3R,4R,5R)-2-[acetyl(methyl)amino]-5-acetyloxy-3,4,6-trimethoxyhexyl] acetate
PubChem CID14019723
Molecular FormulaC16H29NO8
Molecular Weight363.41 g/mol
Exact Mass363.19
IUPAC Name[(2S,3R,4R,5R)-2-[acetyl(methyl)amino]-5-acetyloxy-3,4,6-trimethoxyhexyl] acetate
SMILESCOC[C@@H](OC(C)=O)[C@H](OC)[C@H](OC)[C@H](COC(C)=O)N(C)C(C)=O
InChIInChI=1S/C16H29NO8/c1-10(18)17(4)13(8-24-11(2)19)15(22-6)16(23-7)14(9-21-5)25-12(3)20/h13-16H,8-9H2,1-7H3/t13-,14+,15+,16-/m0/s1
InChIKeyVQVCINYAHOCEMY-JJXSEGSLSA-N
XLogP0.00
TPSA100.60 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds11
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.41
LogP ≤ 50.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of [(2S,3R,4R,5R)-2-[acetyl(methyl)amino]-5-acetyloxy-3,4,6-trimethoxyhexyl] acetate?
The IUPAC name of [(2S,3R,4R,5R)-2-[acetyl(methyl)amino]-5-acetyloxy-3,4,6-trimethoxyhexyl] acetate (CID 14019723) is [(2S,3R,4R,5R)-2-[acetyl(methyl)amino]-5-acetyloxy-3,4,6-trimethoxyhexyl] acetate.
What is the SMILES notation for [(2S,3R,4R,5R)-2-[acetyl(methyl)amino]-5-acetyloxy-3,4,6-trimethoxyhexyl] acetate?
The canonical SMILES for [(2S,3R,4R,5R)-2-[acetyl(methyl)amino]-5-acetyloxy-3,4,6-trimethoxyhexyl] acetate is COC[C@@H](OC(C)=O)[C@H](OC)[C@H](OC)[C@H](COC(C)=O)N(C)C(C)=O.
What is the InChIKey of [(2S,3R,4R,5R)-2-[acetyl(methyl)amino]-5-acetyloxy-3,4,6-trimethoxyhexyl] acetate?
The InChIKey is VQVCINYAHOCEMY-JJXSEGSLSA-N. The full InChI is InChI=1S/C16H29NO8/c1-10(18)17(4)13(8-24-11(2)19)15(22-6)16(23-7)14(9-21-5)25-12(3)20/h13-16H,8-9H2,1-7H3/t13-,14+,15+,16-/m0/s1.
What are the key properties of [(2S,3R,4R,5R)-2-[acetyl(methyl)amino]-5-acetyloxy-3,4,6-trimethoxyhexyl] acetate?
[(2S,3R,4R,5R)-2-[acetyl(methyl)amino]-5-acetyloxy-3,4,6-trimethoxyhexyl] acetate has a molecular weight of 363.41 g/mol, XLogP of 0.00, 11 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,3R,4R,5R)-2-[acetyl(methyl)amino]-5-acetyloxy-3,4,6-trimethoxyhexyl] acetate is sourced from PubChem (CID 14019723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).