[(2R,3R,6R,6aS)-2-acetyloxy-4-benzyl-6-fluoro-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrol-3-yl] acetate

C17H20FNO5 — CID 70310665

IUPAC[(2R,3R,6R,6aS)-2-acetyloxy-4-benzyl-6-fluoro-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrol-3-yl] acetate
SMILESCC(=O)O[C@H]1O[C@H]2C([C@H]1OC(C)=O)N(Cc1ccccc1)C[C@H]2F
InChIInChI=1S/C17H20FNO5/c1-10(20)22-16-14-15(24-17(16)23-11(2)21)13(18)9-19(14)8-12-6-4-3-5-7-12/h3-7,13-17H,8-9H2,1-2H3/t13-,14?,15-,16-,17+/m1/s1
InChIKeyYXKZTYOVTVCXOR-GTGZTVCESA-N
MW337.35 g/mol
LogP1.43
Rot. Bonds4

About [(2R,3R,6R,6aS)-2-acetyloxy-4-benzyl-6-fluoro-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrol-3-yl] acetate

[(2R,3R,6R,6aS)-2-acetyloxy-4-benzyl-6-fluoro-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrol-3-yl] acetate (PubChem CID 70310665) has the molecular formula C17H20FNO5 and a molecular weight of 337.35 g/mol. Its IUPAC name is [(2R,3R,6R,6aS)-2-acetyloxy-4-benzyl-6-fluoro-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrol-3-yl] acetate.

Molecular Properties

Compound Name[(2R,3R,6R,6aS)-2-acetyloxy-4-benzyl-6-fluoro-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrol-3-yl] acetate
PubChem CID70310665
Molecular FormulaC17H20FNO5
Molecular Weight337.35 g/mol
Exact Mass337.13
IUPAC Name[(2R,3R,6R,6aS)-2-acetyloxy-4-benzyl-6-fluoro-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrol-3-yl] acetate
SMILESCC(=O)O[C@H]1O[C@H]2C([C@H]1OC(C)=O)N(Cc1ccccc1)C[C@H]2F
InChIInChI=1S/C17H20FNO5/c1-10(20)22-16-14-15(24-17(16)23-11(2)21)13(18)9-19(14)8-12-6-4-3-5-7-12/h3-7,13-17H,8-9H2,1-2H3/t13-,14?,15-,16-,17+/m1/s1
InChIKeyYXKZTYOVTVCXOR-GTGZTVCESA-N
XLogP1.43
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.35
LogP ≤ 51.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [(2R,3R,6R,6aS)-2-acetyloxy-4-benzyl-6-fluoro-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrol-3-yl] acetate with MolForge

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Frequently Asked Questions

What is the IUPAC name of [(2R,3R,6R,6aS)-2-acetyloxy-4-benzyl-6-fluoro-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrol-3-yl] acetate?
The IUPAC name of [(2R,3R,6R,6aS)-2-acetyloxy-4-benzyl-6-fluoro-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrol-3-yl] acetate (CID 70310665) is [(2R,3R,6R,6aS)-2-acetyloxy-4-benzyl-6-fluoro-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrol-3-yl] acetate.
What is the SMILES notation for [(2R,3R,6R,6aS)-2-acetyloxy-4-benzyl-6-fluoro-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrol-3-yl] acetate?
The canonical SMILES for [(2R,3R,6R,6aS)-2-acetyloxy-4-benzyl-6-fluoro-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrol-3-yl] acetate is CC(=O)O[C@H]1O[C@H]2C([C@H]1OC(C)=O)N(Cc1ccccc1)C[C@H]2F.
What is the InChIKey of [(2R,3R,6R,6aS)-2-acetyloxy-4-benzyl-6-fluoro-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrol-3-yl] acetate?
The InChIKey is YXKZTYOVTVCXOR-GTGZTVCESA-N. The full InChI is InChI=1S/C17H20FNO5/c1-10(20)22-16-14-15(24-17(16)23-11(2)21)13(18)9-19(14)8-12-6-4-3-5-7-12/h3-7,13-17H,8-9H2,1-2H3/t13-,14?,15-,16-,17+/m1/s1.
What are the key properties of [(2R,3R,6R,6aS)-2-acetyloxy-4-benzyl-6-fluoro-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrol-3-yl] acetate?
[(2R,3R,6R,6aS)-2-acetyloxy-4-benzyl-6-fluoro-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrol-3-yl] acetate has a molecular weight of 337.35 g/mol, XLogP of 1.43, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3R,6R,6aS)-2-acetyloxy-4-benzyl-6-fluoro-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrol-3-yl] acetate is sourced from PubChem (CID 70310665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).