[(2R,3R,4R,5E)-1-carboxyoxy-4-fluoro-2-hydroxy-5-methoxyiminopentan-3-yl] hydrogen carbonate

C8H12FNO8 — CID 118108815

IUPAC[(2R,3R,4R,5E)-1-carboxyoxy-4-fluoro-2-hydroxy-5-methoxyiminopentan-3-yl] hydrogen carbonate
SMILESCO/N=C/[C@@H](F)[C@H](OC(=O)O)[C@H](O)COC(=O)O
InChIInChI=1S/C8H12FNO8/c1-16-10-2-4(9)6(18-8(14)15)5(11)3-17-7(12)13/h2,4-6,11H,3H2,1H3,(H,12,13)(H,14,15)/b10-2+/t4-,5-,6+/m1/s1
InChIKeyHUQPIBLJONHUSS-HXJYWFAOSA-N
MW269.18 g/mol
LogP0.08
Rot. Bonds7

About [(2R,3R,4R,5E)-1-carboxyoxy-4-fluoro-2-hydroxy-5-methoxyiminopentan-3-yl] hydrogen carbonate

[(2R,3R,4R,5E)-1-carboxyoxy-4-fluoro-2-hydroxy-5-methoxyiminopentan-3-yl] hydrogen carbonate (PubChem CID 118108815) has the molecular formula C8H12FNO8 and a molecular weight of 269.18 g/mol. Its IUPAC name is [(2R,3R,4R,5E)-1-carboxyoxy-4-fluoro-2-hydroxy-5-methoxyiminopentan-3-yl] hydrogen carbonate.

Molecular Properties

Compound Name[(2R,3R,4R,5E)-1-carboxyoxy-4-fluoro-2-hydroxy-5-methoxyiminopentan-3-yl] hydrogen carbonate
PubChem CID118108815
Molecular FormulaC8H12FNO8
Molecular Weight269.18 g/mol
Exact Mass269.05
IUPAC Name[(2R,3R,4R,5E)-1-carboxyoxy-4-fluoro-2-hydroxy-5-methoxyiminopentan-3-yl] hydrogen carbonate
SMILESCO/N=C/[C@@H](F)[C@H](OC(=O)O)[C@H](O)COC(=O)O
InChIInChI=1S/C8H12FNO8/c1-16-10-2-4(9)6(18-8(14)15)5(11)3-17-7(12)13/h2,4-6,11H,3H2,1H3,(H,12,13)(H,14,15)/b10-2+/t4-,5-,6+/m1/s1
InChIKeyHUQPIBLJONHUSS-HXJYWFAOSA-N
XLogP0.08
TPSA134.88 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.18
LogP ≤ 50.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [(2R,3R,4R,5E)-1-carboxyoxy-4-fluoro-2-hydroxy-5-methoxyiminopentan-3-yl] hydrogen carbonate?
The IUPAC name of [(2R,3R,4R,5E)-1-carboxyoxy-4-fluoro-2-hydroxy-5-methoxyiminopentan-3-yl] hydrogen carbonate (CID 118108815) is [(2R,3R,4R,5E)-1-carboxyoxy-4-fluoro-2-hydroxy-5-methoxyiminopentan-3-yl] hydrogen carbonate.
What is the SMILES notation for [(2R,3R,4R,5E)-1-carboxyoxy-4-fluoro-2-hydroxy-5-methoxyiminopentan-3-yl] hydrogen carbonate?
The canonical SMILES for [(2R,3R,4R,5E)-1-carboxyoxy-4-fluoro-2-hydroxy-5-methoxyiminopentan-3-yl] hydrogen carbonate is CO/N=C/[C@@H](F)[C@H](OC(=O)O)[C@H](O)COC(=O)O.
What is the InChIKey of [(2R,3R,4R,5E)-1-carboxyoxy-4-fluoro-2-hydroxy-5-methoxyiminopentan-3-yl] hydrogen carbonate?
The InChIKey is HUQPIBLJONHUSS-HXJYWFAOSA-N. The full InChI is InChI=1S/C8H12FNO8/c1-16-10-2-4(9)6(18-8(14)15)5(11)3-17-7(12)13/h2,4-6,11H,3H2,1H3,(H,12,13)(H,14,15)/b10-2+/t4-,5-,6+/m1/s1.
What are the key properties of [(2R,3R,4R,5E)-1-carboxyoxy-4-fluoro-2-hydroxy-5-methoxyiminopentan-3-yl] hydrogen carbonate?
[(2R,3R,4R,5E)-1-carboxyoxy-4-fluoro-2-hydroxy-5-methoxyiminopentan-3-yl] hydrogen carbonate has a molecular weight of 269.18 g/mol, XLogP of 0.08, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3R,4R,5E)-1-carboxyoxy-4-fluoro-2-hydroxy-5-methoxyiminopentan-3-yl] hydrogen carbonate is sourced from PubChem (CID 118108815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).