(5-acetamido-4-acetyloxy-6-methoxyoxan-2-yl)methyl acetate

C13H21NO7 — CID 121353630

IUPAC(5-acetamido-4-acetyloxy-6-methoxyoxan-2-yl)methyl acetate
SMILESCOC1OC(COC(C)=O)CC(OC(C)=O)C1NC(C)=O
InChIInChI=1S/C13H21NO7/c1-7(15)14-12-11(20-9(3)17)5-10(6-19-8(2)16)21-13(12)18-4/h10-13H,5-6H2,1-4H3,(H,14,15)
InChIKeyOCGCMXRNHFEHEX-UHFFFAOYSA-N
MW303.31 g/mol
LogP-0.25
Rot. Bonds5

About (5-acetamido-4-acetyloxy-6-methoxyoxan-2-yl)methyl acetate

(5-acetamido-4-acetyloxy-6-methoxyoxan-2-yl)methyl acetate (PubChem CID 121353630) has the molecular formula C13H21NO7 and a molecular weight of 303.31 g/mol. Its IUPAC name is (5-acetamido-4-acetyloxy-6-methoxyoxan-2-yl)methyl acetate.

Molecular Properties

Compound Name(5-acetamido-4-acetyloxy-6-methoxyoxan-2-yl)methyl acetate
PubChem CID121353630
Molecular FormulaC13H21NO7
Molecular Weight303.31 g/mol
Exact Mass303.13
IUPAC Name(5-acetamido-4-acetyloxy-6-methoxyoxan-2-yl)methyl acetate
SMILESCOC1OC(COC(C)=O)CC(OC(C)=O)C1NC(C)=O
InChIInChI=1S/C13H21NO7/c1-7(15)14-12-11(20-9(3)17)5-10(6-19-8(2)16)21-13(12)18-4/h10-13H,5-6H2,1-4H3,(H,14,15)
InChIKeyOCGCMXRNHFEHEX-UHFFFAOYSA-N
XLogP-0.25
TPSA100.16 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.31
LogP ≤ 5-0.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

[(2S,5S)-4,5-diacetyloxyoxolan-2-yl]methyl acetate
CID 144683652
[(4S,5R,6R)-4,5,6-triacetyloxyoxan-2-yl]methyl acetate
CID 170261667
[(2R,3R,4S,5R,6S)-5-acetamido-3,4-diacetyloxy-6-methoxyoxan-2-yl]methyl acetate
CID 1286720
[(2S,3S,4S,5S,6R)-5-acetamido-3,4-diacetyloxy-6-methoxyoxan-2-yl]methyl acetate
CID 7111644
[(2R,3S,4R,5R,6R)-4,5-diacetamido-3-acetyloxy-6-methoxyoxan-2-yl]methyl acetate
CID 22215456
[(3R,6S)-5-acetamido-3,4-diacetyloxy-6-methoxyoxan-2-yl]methyl acetate
CID 134833389
[(2R,3R,4R,5R,6R,7R)-6-acetamido-3,4,5-triacetyloxy-7-methoxyoxepan-2-yl]methyl acetate
CID 102422064
(5-acetamido-6-acetyloxy-4-benzoyloxyoxan-2-yl)methyl benzoate
CID 71171088
(4-acetamido-3,5-diacetyloxy-6-methoxyoxan-2-yl)methyl acetate
CID 568252
[(2S,5R,6R)-4,5-dihydroxy-6-methoxyoxan-2-yl]methyl acetate
CID 146385304
[(2S,4S,5R,6S)-4,5-diacetyloxy-6-sulfanyloxan-2-yl]methyl acetate
CID 57268816
[4,5-diacetyloxy-6-(acetyloxymethyl)oxan-2-yl]methyl acetate
CID 550322

Frequently Asked Questions

What is the IUPAC name of (5-acetamido-4-acetyloxy-6-methoxyoxan-2-yl)methyl acetate?
The IUPAC name of (5-acetamido-4-acetyloxy-6-methoxyoxan-2-yl)methyl acetate (CID 121353630) is (5-acetamido-4-acetyloxy-6-methoxyoxan-2-yl)methyl acetate.
What is the SMILES notation for (5-acetamido-4-acetyloxy-6-methoxyoxan-2-yl)methyl acetate?
The canonical SMILES for (5-acetamido-4-acetyloxy-6-methoxyoxan-2-yl)methyl acetate is COC1OC(COC(C)=O)CC(OC(C)=O)C1NC(C)=O.
What is the InChIKey of (5-acetamido-4-acetyloxy-6-methoxyoxan-2-yl)methyl acetate?
The InChIKey is OCGCMXRNHFEHEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO7/c1-7(15)14-12-11(20-9(3)17)5-10(6-19-8(2)16)21-13(12)18-4/h10-13H,5-6H2,1-4H3,(H,14,15).
What are the key properties of (5-acetamido-4-acetyloxy-6-methoxyoxan-2-yl)methyl acetate?
(5-acetamido-4-acetyloxy-6-methoxyoxan-2-yl)methyl acetate has a molecular weight of 303.31 g/mol, XLogP of -0.25, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (5-acetamido-4-acetyloxy-6-methoxyoxan-2-yl)methyl acetate is sourced from PubChem (CID 121353630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).