[2,3,5-triacetyloxy-6-(methylcarbamoyl)oxan-4-yl] acetate

C15H21NO10 — CID 539155

IUPAC[2,3,5-triacetyloxy-6-(methylcarbamoyl)oxan-4-yl] acetate
SMILESCNC(=O)C1OC(OC(C)=O)C(OC(C)=O)C(OC(C)=O)C1OC(C)=O
InChIInChI=1S/C15H21NO10/c1-6(17)22-10-11(23-7(2)18)13(24-8(3)19)15(25-9(4)20)26-12(10)14(21)16-5/h10-13,15H,1-5H3,(H,16,21)
InChIKeyYRUZRUKNTUVOCW-UHFFFAOYSA-N
MW375.33 g/mol
LogP-1.18
Rot. Bonds5

About [2,3,5-triacetyloxy-6-(methylcarbamoyl)oxan-4-yl] acetate

[2,3,5-triacetyloxy-6-(methylcarbamoyl)oxan-4-yl] acetate (PubChem CID 539155) has the molecular formula C15H21NO10 and a molecular weight of 375.33 g/mol. Its IUPAC name is [2,3,5-triacetyloxy-6-(methylcarbamoyl)oxan-4-yl] acetate.

Molecular Properties

Compound Name[2,3,5-triacetyloxy-6-(methylcarbamoyl)oxan-4-yl] acetate
PubChem CID539155
Molecular FormulaC15H21NO10
Molecular Weight375.33 g/mol
Exact Mass375.12
IUPAC Name[2,3,5-triacetyloxy-6-(methylcarbamoyl)oxan-4-yl] acetate
SMILESCNC(=O)C1OC(OC(C)=O)C(OC(C)=O)C(OC(C)=O)C1OC(C)=O
InChIInChI=1S/C15H21NO10/c1-6(17)22-10-11(23-7(2)18)13(24-8(3)19)15(25-9(4)20)26-12(10)14(21)16-5/h10-13,15H,1-5H3,(H,16,21)
InChIKeyYRUZRUKNTUVOCW-UHFFFAOYSA-N
XLogP-1.18
TPSA143.53 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.33
LogP ≤ 5-1.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [2,3,5-triacetyloxy-6-(methylcarbamoyl)oxan-4-yl] acetate?
The IUPAC name of [2,3,5-triacetyloxy-6-(methylcarbamoyl)oxan-4-yl] acetate (CID 539155) is [2,3,5-triacetyloxy-6-(methylcarbamoyl)oxan-4-yl] acetate.
What is the SMILES notation for [2,3,5-triacetyloxy-6-(methylcarbamoyl)oxan-4-yl] acetate?
The canonical SMILES for [2,3,5-triacetyloxy-6-(methylcarbamoyl)oxan-4-yl] acetate is CNC(=O)C1OC(OC(C)=O)C(OC(C)=O)C(OC(C)=O)C1OC(C)=O.
What is the InChIKey of [2,3,5-triacetyloxy-6-(methylcarbamoyl)oxan-4-yl] acetate?
The InChIKey is YRUZRUKNTUVOCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO10/c1-6(17)22-10-11(23-7(2)18)13(24-8(3)19)15(25-9(4)20)26-12(10)14(21)16-5/h10-13,15H,1-5H3,(H,16,21).
What are the key properties of [2,3,5-triacetyloxy-6-(methylcarbamoyl)oxan-4-yl] acetate?
[2,3,5-triacetyloxy-6-(methylcarbamoyl)oxan-4-yl] acetate has a molecular weight of 375.33 g/mol, XLogP of -1.18, 5 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for [2,3,5-triacetyloxy-6-(methylcarbamoyl)oxan-4-yl] acetate is sourced from PubChem (CID 539155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).