[(3S,4S,5S)-4-acetamido-5-acetyloxyoxolan-3-yl] acetate

C10H15NO6 — CID 10037500

IUPAC[(3S,4S,5S)-4-acetamido-5-acetyloxyoxolan-3-yl] acetate
SMILESCC(=O)N[C@@H]1[C@H](OC(C)=O)OC[C@H]1OC(C)=O
InChIInChI=1S/C10H15NO6/c1-5(12)11-9-8(16-6(2)13)4-15-10(9)17-7(3)14/h8-10H,4H2,1-3H3,(H,11,12)/t8-,9+,10+/m1/s1
InChIKeyFRWOKRZITKGUQD-UTLUCORTSA-N
MW245.23 g/mol
LogP-0.66
Rot. Bonds3

About [(3S,4S,5S)-4-acetamido-5-acetyloxyoxolan-3-yl] acetate

[(3S,4S,5S)-4-acetamido-5-acetyloxyoxolan-3-yl] acetate (PubChem CID 10037500) has the molecular formula C10H15NO6 and a molecular weight of 245.23 g/mol. Its IUPAC name is [(3S,4S,5S)-4-acetamido-5-acetyloxyoxolan-3-yl] acetate.

Molecular Properties

Compound Name[(3S,4S,5S)-4-acetamido-5-acetyloxyoxolan-3-yl] acetate
PubChem CID10037500
Molecular FormulaC10H15NO6
Molecular Weight245.23 g/mol
Exact Mass245.09
IUPAC Name[(3S,4S,5S)-4-acetamido-5-acetyloxyoxolan-3-yl] acetate
SMILESCC(=O)N[C@@H]1[C@H](OC(C)=O)OC[C@H]1OC(C)=O
InChIInChI=1S/C10H15NO6/c1-5(12)11-9-8(16-6(2)13)4-15-10(9)17-7(3)14/h8-10H,4H2,1-3H3,(H,11,12)/t8-,9+,10+/m1/s1
InChIKeyFRWOKRZITKGUQD-UTLUCORTSA-N
XLogP-0.66
TPSA90.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.23
LogP ≤ 5-0.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[(3R,4S,5R,6R)-4,5,6-triacetyloxyoxan-3-yl] acetate
CID 12907258
[(3S,4R,5R)-5-acetamido-4-acetyloxy-6-(4-hydroxy-2-methylbutan-2-yl)oxyoxan-3-yl] acetate
CID 138468114
[(2S,3R,4S,5S)-3-acetamido-4,5-diacetyloxyoxan-2-yl]methyl acetate
CID 139093780
[(3S,4S,5R,6S)-4,6-diacetyloxy-5-hydroxyoxan-3-yl] acetate
CID 11903840
[(3R,4S,5R)-4,5-diacetyloxy-6-bromooxyoxan-3-yl] acetate
CID 139488832
[(2S,3R,4S,5R)-5-acetamido-3-acetyloxy-2-methoxyoxan-4-yl] acetate
CID 14483133
[(3R,4S,5R,6S)-4,5-diacetyloxy-6-[(3R,4S,5R,6S)-4,5,6-triacetyloxyoxan-3-yl]oxyoxan-3-yl] acetate
CID 10951584
[(3R,4S,5R,6S)-5-acetyloxy-4,6-dimethoxyoxan-3-yl] acetate
CID 22212825
[(3R,4R,5R,6S)-4-acetamido-6-methoxy-5-methylsulfonyloxyoxan-3-yl] methanesulfonate
CID 97046230
(5-acetamido-4-acetyloxy-6-methoxyoxan-2-yl)methyl acetate
CID 121353630
[(2S,3S,4R,5R)-3,4,5-trihydroxyoxan-2-yl] acetate
CID 149251667
[(2R,3R,4S,5R)-2-acetyloxy-4,5-dimethoxyoxan-3-yl] acetate
CID 139499665

Frequently Asked Questions

What is the IUPAC name of [(3S,4S,5S)-4-acetamido-5-acetyloxyoxolan-3-yl] acetate?
The IUPAC name of [(3S,4S,5S)-4-acetamido-5-acetyloxyoxolan-3-yl] acetate (CID 10037500) is [(3S,4S,5S)-4-acetamido-5-acetyloxyoxolan-3-yl] acetate.
What is the SMILES notation for [(3S,4S,5S)-4-acetamido-5-acetyloxyoxolan-3-yl] acetate?
The canonical SMILES for [(3S,4S,5S)-4-acetamido-5-acetyloxyoxolan-3-yl] acetate is CC(=O)N[C@@H]1[C@H](OC(C)=O)OC[C@H]1OC(C)=O.
What is the InChIKey of [(3S,4S,5S)-4-acetamido-5-acetyloxyoxolan-3-yl] acetate?
The InChIKey is FRWOKRZITKGUQD-UTLUCORTSA-N. The full InChI is InChI=1S/C10H15NO6/c1-5(12)11-9-8(16-6(2)13)4-15-10(9)17-7(3)14/h8-10H,4H2,1-3H3,(H,11,12)/t8-,9+,10+/m1/s1.
What are the key properties of [(3S,4S,5S)-4-acetamido-5-acetyloxyoxolan-3-yl] acetate?
[(3S,4S,5S)-4-acetamido-5-acetyloxyoxolan-3-yl] acetate has a molecular weight of 245.23 g/mol, XLogP of -0.66, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S,4S,5S)-4-acetamido-5-acetyloxyoxolan-3-yl] acetate is sourced from PubChem (CID 10037500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).