[(2R,3R,4S,5R,6R)-3,4,5-triacetyloxy-6-(2,4-dioxo-1,3-oxazolidin-3-yl)oxan-2-yl]methyl acetate

C17H21NO12 — CID 11037403

IUPAC[(2R,3R,4S,5R,6R)-3,4,5-triacetyloxy-6-(2,4-dioxo-1,3-oxazolidin-3-yl)oxan-2-yl]methyl acetate
SMILESCC(=O)OC[C@H]1O[C@@H](N2C(=O)COC2=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O
InChIInChI=1S/C17H21NO12/c1-7(19)25-5-11-13(27-8(2)20)14(28-9(3)21)15(29-10(4)22)16(30-11)18-12(23)6-26-17(18)24/h11,13-16H,5-6H2,1-4H3/t11-,13-,14+,15-,16-/m1/s1
InChIKeyZXMYBKBIOOEVLC-YMILTQATSA-N
MW431.35 g/mol
LogP-0.95
Rot. Bonds6

About [(2R,3R,4S,5R,6R)-3,4,5-triacetyloxy-6-(2,4-dioxo-1,3-oxazolidin-3-yl)oxan-2-yl]methyl acetate

[(2R,3R,4S,5R,6R)-3,4,5-triacetyloxy-6-(2,4-dioxo-1,3-oxazolidin-3-yl)oxan-2-yl]methyl acetate (PubChem CID 11037403) has the molecular formula C17H21NO12 and a molecular weight of 431.35 g/mol. Its IUPAC name is [(2R,3R,4S,5R,6R)-3,4,5-triacetyloxy-6-(2,4-dioxo-1,3-oxazolidin-3-yl)oxan-2-yl]methyl acetate.

Molecular Properties

Compound Name[(2R,3R,4S,5R,6R)-3,4,5-triacetyloxy-6-(2,4-dioxo-1,3-oxazolidin-3-yl)oxan-2-yl]methyl acetate
PubChem CID11037403
Molecular FormulaC17H21NO12
Molecular Weight431.35 g/mol
Exact Mass431.11
IUPAC Name[(2R,3R,4S,5R,6R)-3,4,5-triacetyloxy-6-(2,4-dioxo-1,3-oxazolidin-3-yl)oxan-2-yl]methyl acetate
SMILESCC(=O)OC[C@H]1O[C@@H](N2C(=O)COC2=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O
InChIInChI=1S/C17H21NO12/c1-7(19)25-5-11-13(27-8(2)20)14(28-9(3)21)15(29-10(4)22)16(30-11)18-12(23)6-26-17(18)24/h11,13-16H,5-6H2,1-4H3/t11-,13-,14+,15-,16-/m1/s1
InChIKeyZXMYBKBIOOEVLC-YMILTQATSA-N
XLogP-0.95
TPSA161.04 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500431.35
LogP ≤ 5-0.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

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

Analyze [(2R,3R,4S,5R,6R)-3,4,5-triacetyloxy-6-(2,4-dioxo-1,3-oxazolidin-3-yl)oxan-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

Frequently Asked Questions

What is the IUPAC name of [(2R,3R,4S,5R,6R)-3,4,5-triacetyloxy-6-(2,4-dioxo-1,3-oxazolidin-3-yl)oxan-2-yl]methyl acetate?
The IUPAC name of [(2R,3R,4S,5R,6R)-3,4,5-triacetyloxy-6-(2,4-dioxo-1,3-oxazolidin-3-yl)oxan-2-yl]methyl acetate (CID 11037403) is [(2R,3R,4S,5R,6R)-3,4,5-triacetyloxy-6-(2,4-dioxo-1,3-oxazolidin-3-yl)oxan-2-yl]methyl acetate.
What is the SMILES notation for [(2R,3R,4S,5R,6R)-3,4,5-triacetyloxy-6-(2,4-dioxo-1,3-oxazolidin-3-yl)oxan-2-yl]methyl acetate?
The canonical SMILES for [(2R,3R,4S,5R,6R)-3,4,5-triacetyloxy-6-(2,4-dioxo-1,3-oxazolidin-3-yl)oxan-2-yl]methyl acetate is CC(=O)OC[C@H]1O[C@@H](N2C(=O)COC2=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O.
What is the InChIKey of [(2R,3R,4S,5R,6R)-3,4,5-triacetyloxy-6-(2,4-dioxo-1,3-oxazolidin-3-yl)oxan-2-yl]methyl acetate?
The InChIKey is ZXMYBKBIOOEVLC-YMILTQATSA-N. The full InChI is InChI=1S/C17H21NO12/c1-7(19)25-5-11-13(27-8(2)20)14(28-9(3)21)15(29-10(4)22)16(30-11)18-12(23)6-26-17(18)24/h11,13-16H,5-6H2,1-4H3/t11-,13-,14+,15-,16-/m1/s1.
What are the key properties of [(2R,3R,4S,5R,6R)-3,4,5-triacetyloxy-6-(2,4-dioxo-1,3-oxazolidin-3-yl)oxan-2-yl]methyl acetate?
[(2R,3R,4S,5R,6R)-3,4,5-triacetyloxy-6-(2,4-dioxo-1,3-oxazolidin-3-yl)oxan-2-yl]methyl acetate has a molecular weight of 431.35 g/mol, XLogP of -0.95, 6 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3R,4S,5R,6R)-3,4,5-triacetyloxy-6-(2,4-dioxo-1,3-oxazolidin-3-yl)oxan-2-yl]methyl acetate is sourced from PubChem (CID 11037403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).