(4-acetamido-3,5-diacetyloxy-6-methoxyoxan-2-yl)methyl acetate

C15H23NO9 — CID 568252

IUPAC(4-acetamido-3,5-diacetyloxy-6-methoxyoxan-2-yl)methyl acetate
SMILESCOC1OC(COC(C)=O)C(OC(C)=O)C(NC(C)=O)C1OC(C)=O
InChIInChI=1S/C15H23NO9/c1-7(17)16-12-13(23-9(3)19)11(6-22-8(2)18)25-15(21-5)14(12)24-10(4)20/h11-15H,6H2,1-5H3,(H,16,17)
InChIKeyURHNGESEFHBZNP-UHFFFAOYSA-N
MW361.35 g/mol
LogP-0.71
Rot. Bonds6

About (4-acetamido-3,5-diacetyloxy-6-methoxyoxan-2-yl)methyl acetate

(4-acetamido-3,5-diacetyloxy-6-methoxyoxan-2-yl)methyl acetate (PubChem CID 568252) has the molecular formula C15H23NO9 and a molecular weight of 361.35 g/mol. Its IUPAC name is (4-acetamido-3,5-diacetyloxy-6-methoxyoxan-2-yl)methyl acetate.

Molecular Properties

Compound Name(4-acetamido-3,5-diacetyloxy-6-methoxyoxan-2-yl)methyl acetate
PubChem CID568252
Molecular FormulaC15H23NO9
Molecular Weight361.35 g/mol
Exact Mass361.14
IUPAC Name(4-acetamido-3,5-diacetyloxy-6-methoxyoxan-2-yl)methyl acetate
SMILESCOC1OC(COC(C)=O)C(OC(C)=O)C(NC(C)=O)C1OC(C)=O
InChIInChI=1S/C15H23NO9/c1-7(17)16-12-13(23-9(3)19)11(6-22-8(2)18)25-15(21-5)14(12)24-10(4)20/h11-15H,6H2,1-5H3,(H,16,17)
InChIKeyURHNGESEFHBZNP-UHFFFAOYSA-N
XLogP-0.71
TPSA126.46 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.35
LogP ≤ 5-0.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}

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Related Compounds

[(2R,3S,4R,5R,6R)-4,5-diacetamido-3-acetyloxy-6-methoxyoxan-2-yl]methyl acetate
CID 22215456
(4-acetamido-3,5,6-triacetyloxyoxan-2-yl)methyl acetate
CID 548258
[(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
[(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
[(2S,5R)-3,4-diacetyloxy-5-methoxyoxolan-2-yl]methyl acetate
CID 129207028
[(2R,3S,4R,5R)-5-acetamido-3,4,6-triacetyloxyoxan-2-yl]methyl acetate
CID 2817447
[(3S,4R,6R)-5-acetamido-3,4,6-triacetyloxyoxan-2-yl]methyl acetate
CID 24802160
[(2R,3R,4S,5R,6S)-5-acetamido-3,4,6-triacetyloxyoxan-2-yl]methyl acetate
CID 26470295
[(2R,3S,4S,5S,6R)-4-acetamido-3,5-diacetyloxy-6-bromooxan-2-yl]methyl acetate
CID 54215769
[(3R)-3,4,5-triacetyloxy-6-methoxyoxan-2-yl]methyl acetate
CID 45050578

Frequently Asked Questions

What is the IUPAC name of (4-acetamido-3,5-diacetyloxy-6-methoxyoxan-2-yl)methyl acetate?
The IUPAC name of (4-acetamido-3,5-diacetyloxy-6-methoxyoxan-2-yl)methyl acetate (CID 568252) is (4-acetamido-3,5-diacetyloxy-6-methoxyoxan-2-yl)methyl acetate.
What is the SMILES notation for (4-acetamido-3,5-diacetyloxy-6-methoxyoxan-2-yl)methyl acetate?
The canonical SMILES for (4-acetamido-3,5-diacetyloxy-6-methoxyoxan-2-yl)methyl acetate is COC1OC(COC(C)=O)C(OC(C)=O)C(NC(C)=O)C1OC(C)=O.
What is the InChIKey of (4-acetamido-3,5-diacetyloxy-6-methoxyoxan-2-yl)methyl acetate?
The InChIKey is URHNGESEFHBZNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO9/c1-7(17)16-12-13(23-9(3)19)11(6-22-8(2)18)25-15(21-5)14(12)24-10(4)20/h11-15H,6H2,1-5H3,(H,16,17).
What are the key properties of (4-acetamido-3,5-diacetyloxy-6-methoxyoxan-2-yl)methyl acetate?
(4-acetamido-3,5-diacetyloxy-6-methoxyoxan-2-yl)methyl acetate has a molecular weight of 361.35 g/mol, XLogP of -0.71, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (4-acetamido-3,5-diacetyloxy-6-methoxyoxan-2-yl)methyl acetate is sourced from PubChem (CID 568252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).