[(2R,3S)-3-acetyloxy-6-[(4-fluorophenyl)sulfonylamino]-3,6-dihydro-2H-pyran-2-yl]methyl acetate

C16H18FNO7S — CID 134943197

IUPAC[(2R,3S)-3-acetyloxy-6-[(4-fluorophenyl)sulfonylamino]-3,6-dihydro-2H-pyran-2-yl]methyl acetate
SMILESCC(=O)OC[C@H]1OC(NS(=O)(=O)c2ccc(F)cc2)C=C[C@@H]1OC(C)=O
InChIInChI=1S/C16H18FNO7S/c1-10(19)23-9-15-14(24-11(2)20)7-8-16(25-15)18-26(21,22)13-5-3-12(17)4-6-13/h3-8,14-16,18H,9H2,1-2H3/t14-,15+,16?/m0/s1
InChIKeyCIVJLFDICHEZDY-QMRHZFGWSA-N
MW387.39 g/mol
LogP0.88
Rot. Bonds6

About [(2R,3S)-3-acetyloxy-6-[(4-fluorophenyl)sulfonylamino]-3,6-dihydro-2H-pyran-2-yl]methyl acetate

[(2R,3S)-3-acetyloxy-6-[(4-fluorophenyl)sulfonylamino]-3,6-dihydro-2H-pyran-2-yl]methyl acetate (PubChem CID 134943197) has the molecular formula C16H18FNO7S and a molecular weight of 387.39 g/mol. Its IUPAC name is [(2R,3S)-3-acetyloxy-6-[(4-fluorophenyl)sulfonylamino]-3,6-dihydro-2H-pyran-2-yl]methyl acetate.

Molecular Properties

Compound Name[(2R,3S)-3-acetyloxy-6-[(4-fluorophenyl)sulfonylamino]-3,6-dihydro-2H-pyran-2-yl]methyl acetate
PubChem CID134943197
Molecular FormulaC16H18FNO7S
Molecular Weight387.39 g/mol
Exact Mass387.08
IUPAC Name[(2R,3S)-3-acetyloxy-6-[(4-fluorophenyl)sulfonylamino]-3,6-dihydro-2H-pyran-2-yl]methyl acetate
SMILESCC(=O)OC[C@H]1OC(NS(=O)(=O)c2ccc(F)cc2)C=C[C@@H]1OC(C)=O
InChIInChI=1S/C16H18FNO7S/c1-10(19)23-9-15-14(24-11(2)20)7-8-16(25-15)18-26(21,22)13-5-3-12(17)4-6-13/h3-8,14-16,18H,9H2,1-2H3/t14-,15+,16?/m0/s1
InChIKeyCIVJLFDICHEZDY-QMRHZFGWSA-N
XLogP0.88
TPSA108.00 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.39
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(2R,3S)-3-acetyloxy-6-[(4-fluorophenyl)sulfonylamino]-3,6-dihydro-2H-pyran-2-yl]methyl acetate?
The IUPAC name of [(2R,3S)-3-acetyloxy-6-[(4-fluorophenyl)sulfonylamino]-3,6-dihydro-2H-pyran-2-yl]methyl acetate (CID 134943197) is [(2R,3S)-3-acetyloxy-6-[(4-fluorophenyl)sulfonylamino]-3,6-dihydro-2H-pyran-2-yl]methyl acetate.
What is the SMILES notation for [(2R,3S)-3-acetyloxy-6-[(4-fluorophenyl)sulfonylamino]-3,6-dihydro-2H-pyran-2-yl]methyl acetate?
The canonical SMILES for [(2R,3S)-3-acetyloxy-6-[(4-fluorophenyl)sulfonylamino]-3,6-dihydro-2H-pyran-2-yl]methyl acetate is CC(=O)OC[C@H]1OC(NS(=O)(=O)c2ccc(F)cc2)C=C[C@@H]1OC(C)=O.
What is the InChIKey of [(2R,3S)-3-acetyloxy-6-[(4-fluorophenyl)sulfonylamino]-3,6-dihydro-2H-pyran-2-yl]methyl acetate?
The InChIKey is CIVJLFDICHEZDY-QMRHZFGWSA-N. The full InChI is InChI=1S/C16H18FNO7S/c1-10(19)23-9-15-14(24-11(2)20)7-8-16(25-15)18-26(21,22)13-5-3-12(17)4-6-13/h3-8,14-16,18H,9H2,1-2H3/t14-,15+,16?/m0/s1.
What are the key properties of [(2R,3S)-3-acetyloxy-6-[(4-fluorophenyl)sulfonylamino]-3,6-dihydro-2H-pyran-2-yl]methyl acetate?
[(2R,3S)-3-acetyloxy-6-[(4-fluorophenyl)sulfonylamino]-3,6-dihydro-2H-pyran-2-yl]methyl acetate has a molecular weight of 387.39 g/mol, XLogP of 0.88, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3S)-3-acetyloxy-6-[(4-fluorophenyl)sulfonylamino]-3,6-dihydro-2H-pyran-2-yl]methyl acetate is sourced from PubChem (CID 134943197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).