[(3R,4S,5R,6R)-4,5-diacetyloxy-6-(4-methylanilino)oxan-3-yl] acetate

C18H23NO7 — CID 23253956

IUPAC[(3R,4S,5R,6R)-4,5-diacetyloxy-6-(4-methylanilino)oxan-3-yl] acetate
SMILESCC(=O)O[C@@H]1[C@@H](OC(C)=O)[C@H](OC(C)=O)CO[C@H]1Nc1ccc(C)cc1
InChIInChI=1S/C18H23NO7/c1-10-5-7-14(8-6-10)19-18-17(26-13(4)22)16(25-12(3)21)15(9-23-18)24-11(2)20/h5-8,15-19H,9H2,1-4H3/t15-,16+,17-,18-/m1/s1
InChIKeyUCGROBCJVGCADL-XMTFNYHQSA-N
MW365.38 g/mol
LogP1.56
Rot. Bonds5

About [(3R,4S,5R,6R)-4,5-diacetyloxy-6-(4-methylanilino)oxan-3-yl] acetate

[(3R,4S,5R,6R)-4,5-diacetyloxy-6-(4-methylanilino)oxan-3-yl] acetate (PubChem CID 23253956) has the molecular formula C18H23NO7 and a molecular weight of 365.38 g/mol. Its IUPAC name is [(3R,4S,5R,6R)-4,5-diacetyloxy-6-(4-methylanilino)oxan-3-yl] acetate.

Molecular Properties

Compound Name[(3R,4S,5R,6R)-4,5-diacetyloxy-6-(4-methylanilino)oxan-3-yl] acetate
PubChem CID23253956
Molecular FormulaC18H23NO7
Molecular Weight365.38 g/mol
Exact Mass365.15
IUPAC Name[(3R,4S,5R,6R)-4,5-diacetyloxy-6-(4-methylanilino)oxan-3-yl] acetate
SMILESCC(=O)O[C@@H]1[C@@H](OC(C)=O)[C@H](OC(C)=O)CO[C@H]1Nc1ccc(C)cc1
InChIInChI=1S/C18H23NO7/c1-10-5-7-14(8-6-10)19-18-17(26-13(4)22)16(25-12(3)21)15(9-23-18)24-11(2)20/h5-8,15-19H,9H2,1-4H3/t15-,16+,17-,18-/m1/s1
InChIKeyUCGROBCJVGCADL-XMTFNYHQSA-N
XLogP1.56
TPSA100.16 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.38
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze [(3R,4S,5R,6R)-4,5-diacetyloxy-6-(4-methylanilino)oxan-3-yl] acetate with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [(3R,4S,5R,6R)-4,5-diacetyloxy-6-(4-methylanilino)oxan-3-yl] acetate?
The IUPAC name of [(3R,4S,5R,6R)-4,5-diacetyloxy-6-(4-methylanilino)oxan-3-yl] acetate (CID 23253956) is [(3R,4S,5R,6R)-4,5-diacetyloxy-6-(4-methylanilino)oxan-3-yl] acetate.
What is the SMILES notation for [(3R,4S,5R,6R)-4,5-diacetyloxy-6-(4-methylanilino)oxan-3-yl] acetate?
The canonical SMILES for [(3R,4S,5R,6R)-4,5-diacetyloxy-6-(4-methylanilino)oxan-3-yl] acetate is CC(=O)O[C@@H]1[C@@H](OC(C)=O)[C@H](OC(C)=O)CO[C@H]1Nc1ccc(C)cc1.
What is the InChIKey of [(3R,4S,5R,6R)-4,5-diacetyloxy-6-(4-methylanilino)oxan-3-yl] acetate?
The InChIKey is UCGROBCJVGCADL-XMTFNYHQSA-N. The full InChI is InChI=1S/C18H23NO7/c1-10-5-7-14(8-6-10)19-18-17(26-13(4)22)16(25-12(3)21)15(9-23-18)24-11(2)20/h5-8,15-19H,9H2,1-4H3/t15-,16+,17-,18-/m1/s1.
What are the key properties of [(3R,4S,5R,6R)-4,5-diacetyloxy-6-(4-methylanilino)oxan-3-yl] acetate?
[(3R,4S,5R,6R)-4,5-diacetyloxy-6-(4-methylanilino)oxan-3-yl] acetate has a molecular weight of 365.38 g/mol, XLogP of 1.56, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R,4S,5R,6R)-4,5-diacetyloxy-6-(4-methylanilino)oxan-3-yl] acetate is sourced from PubChem (CID 23253956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).