[(2R)-2-[(3aR,5S,6R,6aR)-1-acetyl-6-acetyloxy-2-oxo-3a,5,6,6a-tetrahydrofuro[3,2-d][1,3]oxazol-5-yl]-2-acetyloxyethyl] acetate

C15H19NO10 — CID 139199888

IUPAC[(2R)-2-[(3aR,5S,6R,6aR)-1-acetyl-6-acetyloxy-2-oxo-3a,5,6,6a-tetrahydrofuro[3,2-d][1,3]oxazol-5-yl]-2-acetyloxyethyl] acetate
SMILESCC(=O)OC[C@@H](OC(C)=O)[C@H]1O[C@@H]2OC(=O)N(C(C)=O)[C@@H]2[C@H]1OC(C)=O
InChIInChI=1S/C15H19NO10/c1-6(17)16-11-13(24-9(4)20)12(25-14(11)26-15(16)21)10(23-8(3)19)5-22-7(2)18/h10-14H,5H2,1-4H3/t10-,11-,12-,13-,14-/m1/s1
InChIKeyJQDATYKXJOZHSQ-DHGKCCLASA-N
MW373.31 g/mol
LogP-0.49
Rot. Bonds5

About [(2R)-2-[(3aR,5S,6R,6aR)-1-acetyl-6-acetyloxy-2-oxo-3a,5,6,6a-tetrahydrofuro[3,2-d][1,3]oxazol-5-yl]-2-acetyloxyethyl] acetate

[(2R)-2-[(3aR,5S,6R,6aR)-1-acetyl-6-acetyloxy-2-oxo-3a,5,6,6a-tetrahydrofuro[3,2-d][1,3]oxazol-5-yl]-2-acetyloxyethyl] acetate (PubChem CID 139199888) has the molecular formula C15H19NO10 and a molecular weight of 373.31 g/mol. Its IUPAC name is [(2R)-2-[(3aR,5S,6R,6aR)-1-acetyl-6-acetyloxy-2-oxo-3a,5,6,6a-tetrahydrofuro[3,2-d][1,3]oxazol-5-yl]-2-acetyloxyethyl] acetate.

Molecular Properties

Compound Name[(2R)-2-[(3aR,5S,6R,6aR)-1-acetyl-6-acetyloxy-2-oxo-3a,5,6,6a-tetrahydrofuro[3,2-d][1,3]oxazol-5-yl]-2-acetyloxyethyl] acetate
PubChem CID139199888
Molecular FormulaC15H19NO10
Molecular Weight373.31 g/mol
Exact Mass373.10
IUPAC Name[(2R)-2-[(3aR,5S,6R,6aR)-1-acetyl-6-acetyloxy-2-oxo-3a,5,6,6a-tetrahydrofuro[3,2-d][1,3]oxazol-5-yl]-2-acetyloxyethyl] acetate
SMILESCC(=O)OC[C@@H](OC(C)=O)[C@H]1O[C@@H]2OC(=O)N(C(C)=O)[C@@H]2[C@H]1OC(C)=O
InChIInChI=1S/C15H19NO10/c1-6(17)16-11-13(24-9(4)20)12(25-14(11)26-15(16)21)10(23-8(3)19)5-22-7(2)18/h10-14H,5H2,1-4H3/t10-,11-,12-,13-,14-/m1/s1
InChIKeyJQDATYKXJOZHSQ-DHGKCCLASA-N
XLogP-0.49
TPSA134.74 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.31
LogP ≤ 5-0.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

Analyze [(2R)-2-[(3aR,5S,6R,6aR)-1-acetyl-6-acetyloxy-2-oxo-3a,5,6,6a-tetrahydrofuro[3,2-d][1,3]oxazol-5-yl]-2-acetyloxyethyl] acetate with MolForge

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Related Compounds

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CID 575302
Acetic acid 3-acetoxy-5-(acetyl-methyl-amino)-6-methoxy-2-methoxymethyl-tetrahydro-pyran-4-yl ester
CID 575430
Methyl 4,6-di-O-acetyl-2-deoxy-3-O-methyl-2-(N-methylacetamido)-alpha-D-glucopyranoside
CID 22214866
[(2R,3S,4R,5R,6S)-3,4,6-triacetyloxy-5-(diacetylamino)oxan-2-yl]methyl acetate
CID 11327907
tert-butyl (3aS,5S,6R,6aS)-3a-(2,2-dimethylpropanoyloxymethyl)-6-formyloxy-2,2,5-trimethyl-6,6a-dihydro-5H-[1,3]dioxolo[4,5-b]pyrrole-4-carboxylate
CID 71819336
[(2R,3S,4R,5R)-3,4,6-triacetyloxy-5-(diacetylamino)oxan-2-yl]methyl acetate
CID 91178563
Methyl 4,6-di-O-acetyl-2-[acetyl(methyl)amino]-2-deoxy-3-O-methylhexopyranoside
CID 560206
[(2R,3R,4R,5S)-4,5-diacetyloxy-2-[(4R)-3-acetyl-2-sulfanylidene-1,3-oxazolidin-4-yl]oxolan-3-yl] acetate
CID 11200095
Methyl 3,6-di-O-acetyl-2-deoxy-4-O-methyl-2-(N-methylacetamido)-alpha-D-glucopyranoside
CID 22216001
Methyl 3,4-di-O-acetyl-2-deoxy-6-O-methyl-2-(N-methylacetamido)-alpha-D-glucopyranoside
CID 22216015
[(2R,3R,4R,5S,6R)-3,4,6-triacetyloxy-5-(diacetylamino)oxan-2-yl]methyl acetate
CID 70546828
ethyl (3aS,4R,6aR)-4-(acetyloxymethyl)-2,2-dimethyl-3a,4,6,6a-tetrahydro-[1,3]dioxolo[4,5-c]pyrrole-5-carboxylate
CID 174234421

Frequently Asked Questions

What is the IUPAC name of [(2R)-2-[(3aR,5S,6R,6aR)-1-acetyl-6-acetyloxy-2-oxo-3a,5,6,6a-tetrahydrofuro[3,2-d][1,3]oxazol-5-yl]-2-acetyloxyethyl] acetate?
The IUPAC name of [(2R)-2-[(3aR,5S,6R,6aR)-1-acetyl-6-acetyloxy-2-oxo-3a,5,6,6a-tetrahydrofuro[3,2-d][1,3]oxazol-5-yl]-2-acetyloxyethyl] acetate (CID 139199888) is [(2R)-2-[(3aR,5S,6R,6aR)-1-acetyl-6-acetyloxy-2-oxo-3a,5,6,6a-tetrahydrofuro[3,2-d][1,3]oxazol-5-yl]-2-acetyloxyethyl] acetate.
What is the SMILES notation for [(2R)-2-[(3aR,5S,6R,6aR)-1-acetyl-6-acetyloxy-2-oxo-3a,5,6,6a-tetrahydrofuro[3,2-d][1,3]oxazol-5-yl]-2-acetyloxyethyl] acetate?
The canonical SMILES for [(2R)-2-[(3aR,5S,6R,6aR)-1-acetyl-6-acetyloxy-2-oxo-3a,5,6,6a-tetrahydrofuro[3,2-d][1,3]oxazol-5-yl]-2-acetyloxyethyl] acetate is CC(=O)OC[C@@H](OC(C)=O)[C@H]1O[C@@H]2OC(=O)N(C(C)=O)[C@@H]2[C@H]1OC(C)=O.
What is the InChIKey of [(2R)-2-[(3aR,5S,6R,6aR)-1-acetyl-6-acetyloxy-2-oxo-3a,5,6,6a-tetrahydrofuro[3,2-d][1,3]oxazol-5-yl]-2-acetyloxyethyl] acetate?
The InChIKey is JQDATYKXJOZHSQ-DHGKCCLASA-N. The full InChI is InChI=1S/C15H19NO10/c1-6(17)16-11-13(24-9(4)20)12(25-14(11)26-15(16)21)10(23-8(3)19)5-22-7(2)18/h10-14H,5H2,1-4H3/t10-,11-,12-,13-,14-/m1/s1.
What are the key properties of [(2R)-2-[(3aR,5S,6R,6aR)-1-acetyl-6-acetyloxy-2-oxo-3a,5,6,6a-tetrahydrofuro[3,2-d][1,3]oxazol-5-yl]-2-acetyloxyethyl] acetate?
[(2R)-2-[(3aR,5S,6R,6aR)-1-acetyl-6-acetyloxy-2-oxo-3a,5,6,6a-tetrahydrofuro[3,2-d][1,3]oxazol-5-yl]-2-acetyloxyethyl] acetate has a molecular weight of 373.31 g/mol, XLogP of -0.49, 5 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-2-[(3aR,5S,6R,6aR)-1-acetyl-6-acetyloxy-2-oxo-3a,5,6,6a-tetrahydrofuro[3,2-d][1,3]oxazol-5-yl]-2-acetyloxyethyl] acetate is sourced from PubChem (CID 139199888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).