[5-acetamido-3,4-diacetyloxy-6-(ethenylamino)oxyoxan-2-yl]methyl acetate

C16H24N2O9 — CID 146412931

IUPAC[5-acetamido-3,4-diacetyloxy-6-(ethenylamino)oxyoxan-2-yl]methyl acetate
SMILESC=CNOC1OC(COC(C)=O)C(OC(C)=O)C(OC(C)=O)C1NC(C)=O
InChIInChI=1S/C16H24N2O9/c1-6-17-27-16-13(18-8(2)19)15(25-11(5)22)14(24-10(4)21)12(26-16)7-23-9(3)20/h6,12-17H,1,7H2,2-5H3,(H,18,19)
InChIKeyHYOCLNSUEGZOPV-UHFFFAOYSA-N
MW388.37 g/mol
LogP-0.69
Rot. Bonds8

About [5-acetamido-3,4-diacetyloxy-6-(ethenylamino)oxyoxan-2-yl]methyl acetate

[5-acetamido-3,4-diacetyloxy-6-(ethenylamino)oxyoxan-2-yl]methyl acetate (PubChem CID 146412931) has the molecular formula C16H24N2O9 and a molecular weight of 388.37 g/mol. Its IUPAC name is [5-acetamido-3,4-diacetyloxy-6-(ethenylamino)oxyoxan-2-yl]methyl acetate.

Molecular Properties

Compound Name[5-acetamido-3,4-diacetyloxy-6-(ethenylamino)oxyoxan-2-yl]methyl acetate
PubChem CID146412931
Molecular FormulaC16H24N2O9
Molecular Weight388.37 g/mol
Exact Mass388.15
IUPAC Name[5-acetamido-3,4-diacetyloxy-6-(ethenylamino)oxyoxan-2-yl]methyl acetate
SMILESC=CNOC1OC(COC(C)=O)C(OC(C)=O)C(OC(C)=O)C1NC(C)=O
InChIInChI=1S/C16H24N2O9/c1-6-17-27-16-13(18-8(2)19)15(25-11(5)22)14(24-10(4)21)12(26-16)7-23-9(3)20/h6,12-17H,1,7H2,2-5H3,(H,18,19)
InChIKeyHYOCLNSUEGZOPV-UHFFFAOYSA-N
XLogP-0.69
TPSA138.49 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.37
LogP ≤ 5-0.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

Analyze [5-acetamido-3,4-diacetyloxy-6-(ethenylamino)oxyoxan-2-yl]methyl acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[(3S,4R,6R)-5-acetamido-3,4,6-triacetyloxyoxan-2-yl]methyl acetate
CID 24802160
[(2R,3S,4R,5R)-5-acetamido-3,4,6-triacetyloxyoxan-2-yl]methyl acetate
CID 2817447
[(2R,3R,4S,5R,6S)-5-acetamido-3,4,6-triacetyloxyoxan-2-yl]methyl acetate
CID 26470295
[(3R,4R,6S)-5-acetamido-3,4-diacetyloxy-6-prop-2-enoxyoxan-2-yl]methyl acetate
CID 89003172
[(2S,3S,4R,5S,6S)-5-acetamido-3,4-diacetyloxy-6-prop-2-enoxyoxan-2-yl]methyl acetate
CID 11903794
[(2R,3R,4R,5R,6S)-5-acetamido-3,4-diacetyloxy-6-prop-2-enoxyoxan-2-yl]methyl acetate
CID 134936318
[(3R,6S)-5-acetamido-3,4-diacetyloxy-6-methoxyoxan-2-yl]methyl acetate
CID 134833389
[(2S,3S,4S,5S,6R)-5-acetamido-3,4-diacetyloxy-6-methoxyoxan-2-yl]methyl acetate
CID 7111644
[(2R,3R,4S,5R,6S)-5-acetamido-3,4-diacetyloxy-6-methoxyoxan-2-yl]methyl acetate
CID 1286720
[(2R,3R,4R,5R,6R,7R)-6-acetamido-3,4,5-triacetyloxy-7-methoxyoxepan-2-yl]methyl acetate
CID 102422064
[(2R,3S,4R,5R,6R)-5-acetamido-3,4-diacetyloxy-6-pent-4-enoxyoxan-2-yl]methyl acetate
CID 11223755
[(2R,3S,4S,5S)-5-acetamido-3-[(2S,3R,4R,5S,6R)-3-acetamido-4,5-diacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxy-4,6-diacetyloxyoxan-2-yl]methyl acetate
CID 71299525

Frequently Asked Questions

What is the IUPAC name of [5-acetamido-3,4-diacetyloxy-6-(ethenylamino)oxyoxan-2-yl]methyl acetate?
The IUPAC name of [5-acetamido-3,4-diacetyloxy-6-(ethenylamino)oxyoxan-2-yl]methyl acetate (CID 146412931) is [5-acetamido-3,4-diacetyloxy-6-(ethenylamino)oxyoxan-2-yl]methyl acetate.
What is the SMILES notation for [5-acetamido-3,4-diacetyloxy-6-(ethenylamino)oxyoxan-2-yl]methyl acetate?
The canonical SMILES for [5-acetamido-3,4-diacetyloxy-6-(ethenylamino)oxyoxan-2-yl]methyl acetate is C=CNOC1OC(COC(C)=O)C(OC(C)=O)C(OC(C)=O)C1NC(C)=O.
What is the InChIKey of [5-acetamido-3,4-diacetyloxy-6-(ethenylamino)oxyoxan-2-yl]methyl acetate?
The InChIKey is HYOCLNSUEGZOPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O9/c1-6-17-27-16-13(18-8(2)19)15(25-11(5)22)14(24-10(4)21)12(26-16)7-23-9(3)20/h6,12-17H,1,7H2,2-5H3,(H,18,19).
What are the key properties of [5-acetamido-3,4-diacetyloxy-6-(ethenylamino)oxyoxan-2-yl]methyl acetate?
[5-acetamido-3,4-diacetyloxy-6-(ethenylamino)oxyoxan-2-yl]methyl acetate has a molecular weight of 388.37 g/mol, XLogP of -0.69, 8 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for [5-acetamido-3,4-diacetyloxy-6-(ethenylamino)oxyoxan-2-yl]methyl acetate is sourced from PubChem (CID 146412931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).