[(2R,3S,4R,6R)-3-acetyloxy-6-[(4R)-4-ethyl-2-oxo-1,3-oxazolidin-3-yl]-4-[(2-methylpropan-2-yl)oxy]oxan-2-yl]methyl acetate

C19H31NO8 — CID 11269609

IUPAC[(2R,3S,4R,6R)-3-acetyloxy-6-[(4R)-4-ethyl-2-oxo-1,3-oxazolidin-3-yl]-4-[(2-methylpropan-2-yl)oxy]oxan-2-yl]methyl acetate
SMILESCC[C@@H]1COC(=O)N1[C@H]1C[C@@H](OC(C)(C)C)[C@H](OC(C)=O)[C@@H](COC(C)=O)O1
InChIInChI=1S/C19H31NO8/c1-7-13-9-25-18(23)20(13)16-8-14(28-19(4,5)6)17(26-12(3)22)15(27-16)10-24-11(2)21/h13-17H,7-10H2,1-6H3/t13-,14-,15-,16-,17+/m1/s1
InChIKeyCUPYPOJTUODQFB-HHARLNAUSA-N
MW401.46 g/mol
LogP2.01
Rot. Bonds6

About [(2R,3S,4R,6R)-3-acetyloxy-6-[(4R)-4-ethyl-2-oxo-1,3-oxazolidin-3-yl]-4-[(2-methylpropan-2-yl)oxy]oxan-2-yl]methyl acetate

[(2R,3S,4R,6R)-3-acetyloxy-6-[(4R)-4-ethyl-2-oxo-1,3-oxazolidin-3-yl]-4-[(2-methylpropan-2-yl)oxy]oxan-2-yl]methyl acetate (PubChem CID 11269609) has the molecular formula C19H31NO8 and a molecular weight of 401.46 g/mol. Its IUPAC name is [(2R,3S,4R,6R)-3-acetyloxy-6-[(4R)-4-ethyl-2-oxo-1,3-oxazolidin-3-yl]-4-[(2-methylpropan-2-yl)oxy]oxan-2-yl]methyl acetate.

Molecular Properties

Compound Name[(2R,3S,4R,6R)-3-acetyloxy-6-[(4R)-4-ethyl-2-oxo-1,3-oxazolidin-3-yl]-4-[(2-methylpropan-2-yl)oxy]oxan-2-yl]methyl acetate
PubChem CID11269609
Molecular FormulaC19H31NO8
Molecular Weight401.46 g/mol
Exact Mass401.20
IUPAC Name[(2R,3S,4R,6R)-3-acetyloxy-6-[(4R)-4-ethyl-2-oxo-1,3-oxazolidin-3-yl]-4-[(2-methylpropan-2-yl)oxy]oxan-2-yl]methyl acetate
SMILESCC[C@@H]1COC(=O)N1[C@H]1C[C@@H](OC(C)(C)C)[C@H](OC(C)=O)[C@@H](COC(C)=O)O1
InChIInChI=1S/C19H31NO8/c1-7-13-9-25-18(23)20(13)16-8-14(28-19(4,5)6)17(26-12(3)22)15(27-16)10-24-11(2)21/h13-17H,7-10H2,1-6H3/t13-,14-,15-,16-,17+/m1/s1
InChIKeyCUPYPOJTUODQFB-HHARLNAUSA-N
XLogP2.01
TPSA100.60 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.46
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze [(2R,3S,4R,6R)-3-acetyloxy-6-[(4R)-4-ethyl-2-oxo-1,3-oxazolidin-3-yl]-4-[(2-methylpropan-2-yl)oxy]oxan-2-yl]methyl acetate with MolForge

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Frequently Asked Questions

What is the IUPAC name of [(2R,3S,4R,6R)-3-acetyloxy-6-[(4R)-4-ethyl-2-oxo-1,3-oxazolidin-3-yl]-4-[(2-methylpropan-2-yl)oxy]oxan-2-yl]methyl acetate?
The IUPAC name of [(2R,3S,4R,6R)-3-acetyloxy-6-[(4R)-4-ethyl-2-oxo-1,3-oxazolidin-3-yl]-4-[(2-methylpropan-2-yl)oxy]oxan-2-yl]methyl acetate (CID 11269609) is [(2R,3S,4R,6R)-3-acetyloxy-6-[(4R)-4-ethyl-2-oxo-1,3-oxazolidin-3-yl]-4-[(2-methylpropan-2-yl)oxy]oxan-2-yl]methyl acetate.
What is the SMILES notation for [(2R,3S,4R,6R)-3-acetyloxy-6-[(4R)-4-ethyl-2-oxo-1,3-oxazolidin-3-yl]-4-[(2-methylpropan-2-yl)oxy]oxan-2-yl]methyl acetate?
The canonical SMILES for [(2R,3S,4R,6R)-3-acetyloxy-6-[(4R)-4-ethyl-2-oxo-1,3-oxazolidin-3-yl]-4-[(2-methylpropan-2-yl)oxy]oxan-2-yl]methyl acetate is CC[C@@H]1COC(=O)N1[C@H]1C[C@@H](OC(C)(C)C)[C@H](OC(C)=O)[C@@H](COC(C)=O)O1.
What is the InChIKey of [(2R,3S,4R,6R)-3-acetyloxy-6-[(4R)-4-ethyl-2-oxo-1,3-oxazolidin-3-yl]-4-[(2-methylpropan-2-yl)oxy]oxan-2-yl]methyl acetate?
The InChIKey is CUPYPOJTUODQFB-HHARLNAUSA-N. The full InChI is InChI=1S/C19H31NO8/c1-7-13-9-25-18(23)20(13)16-8-14(28-19(4,5)6)17(26-12(3)22)15(27-16)10-24-11(2)21/h13-17H,7-10H2,1-6H3/t13-,14-,15-,16-,17+/m1/s1.
What are the key properties of [(2R,3S,4R,6R)-3-acetyloxy-6-[(4R)-4-ethyl-2-oxo-1,3-oxazolidin-3-yl]-4-[(2-methylpropan-2-yl)oxy]oxan-2-yl]methyl acetate?
[(2R,3S,4R,6R)-3-acetyloxy-6-[(4R)-4-ethyl-2-oxo-1,3-oxazolidin-3-yl]-4-[(2-methylpropan-2-yl)oxy]oxan-2-yl]methyl acetate has a molecular weight of 401.46 g/mol, XLogP of 2.01, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3S,4R,6R)-3-acetyloxy-6-[(4R)-4-ethyl-2-oxo-1,3-oxazolidin-3-yl]-4-[(2-methylpropan-2-yl)oxy]oxan-2-yl]methyl acetate is sourced from PubChem (CID 11269609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).