[(2R,3R,4R)-4-fluoro-4-methyl-3-oxaldehydoyloxy-5-oxooxolan-2-yl]methyl 2-oxoacetate

C10H9FO8 — CID 169299253

IUPAC[(2R,3R,4R)-4-fluoro-4-methyl-3-oxaldehydoyloxy-5-oxooxolan-2-yl]methyl 2-oxoacetate
SMILESC[C@]1(F)C(=O)O[C@H](COC(=O)C=O)[C@H]1OC(=O)C=O
InChIInChI=1S/C10H9FO8/c1-10(11)8(19-7(15)3-13)5(18-9(10)16)4-17-6(14)2-12/h2-3,5,8H,4H2,1H3/t5-,8-,10-/m1/s1
InChIKeyKHAGLWMPJMZXFE-DPKJLXEKSA-N
MW276.17 g/mol
LogP-1.51
Rot. Bonds5

About [(2R,3R,4R)-4-fluoro-4-methyl-3-oxaldehydoyloxy-5-oxooxolan-2-yl]methyl 2-oxoacetate

[(2R,3R,4R)-4-fluoro-4-methyl-3-oxaldehydoyloxy-5-oxooxolan-2-yl]methyl 2-oxoacetate (PubChem CID 169299253) has the molecular formula C10H9FO8 and a molecular weight of 276.17 g/mol. Its IUPAC name is [(2R,3R,4R)-4-fluoro-4-methyl-3-oxaldehydoyloxy-5-oxooxolan-2-yl]methyl 2-oxoacetate.

Molecular Properties

Compound Name[(2R,3R,4R)-4-fluoro-4-methyl-3-oxaldehydoyloxy-5-oxooxolan-2-yl]methyl 2-oxoacetate
PubChem CID169299253
Molecular FormulaC10H9FO8
Molecular Weight276.17 g/mol
Exact Mass276.03
IUPAC Name[(2R,3R,4R)-4-fluoro-4-methyl-3-oxaldehydoyloxy-5-oxooxolan-2-yl]methyl 2-oxoacetate
SMILESC[C@]1(F)C(=O)O[C@H](COC(=O)C=O)[C@H]1OC(=O)C=O
InChIInChI=1S/C10H9FO8/c1-10(11)8(19-7(15)3-13)5(18-9(10)16)4-17-6(14)2-12/h2-3,5,8H,4H2,1H3/t5-,8-,10-/m1/s1
InChIKeyKHAGLWMPJMZXFE-DPKJLXEKSA-N
XLogP-1.51
TPSA113.04 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.17
LogP ≤ 5-1.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(2R,3R,4R)-4-fluoro-4-methyl-3-oxaldehydoyloxy-5-oxooxolan-2-yl]methyl 2-oxoacetate?
The IUPAC name of [(2R,3R,4R)-4-fluoro-4-methyl-3-oxaldehydoyloxy-5-oxooxolan-2-yl]methyl 2-oxoacetate (CID 169299253) is [(2R,3R,4R)-4-fluoro-4-methyl-3-oxaldehydoyloxy-5-oxooxolan-2-yl]methyl 2-oxoacetate.
What is the SMILES notation for [(2R,3R,4R)-4-fluoro-4-methyl-3-oxaldehydoyloxy-5-oxooxolan-2-yl]methyl 2-oxoacetate?
The canonical SMILES for [(2R,3R,4R)-4-fluoro-4-methyl-3-oxaldehydoyloxy-5-oxooxolan-2-yl]methyl 2-oxoacetate is C[C@]1(F)C(=O)O[C@H](COC(=O)C=O)[C@H]1OC(=O)C=O.
What is the InChIKey of [(2R,3R,4R)-4-fluoro-4-methyl-3-oxaldehydoyloxy-5-oxooxolan-2-yl]methyl 2-oxoacetate?
The InChIKey is KHAGLWMPJMZXFE-DPKJLXEKSA-N. The full InChI is InChI=1S/C10H9FO8/c1-10(11)8(19-7(15)3-13)5(18-9(10)16)4-17-6(14)2-12/h2-3,5,8H,4H2,1H3/t5-,8-,10-/m1/s1.
What are the key properties of [(2R,3R,4R)-4-fluoro-4-methyl-3-oxaldehydoyloxy-5-oxooxolan-2-yl]methyl 2-oxoacetate?
[(2R,3R,4R)-4-fluoro-4-methyl-3-oxaldehydoyloxy-5-oxooxolan-2-yl]methyl 2-oxoacetate has a molecular weight of 276.17 g/mol, XLogP of -1.51, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3R,4R)-4-fluoro-4-methyl-3-oxaldehydoyloxy-5-oxooxolan-2-yl]methyl 2-oxoacetate is sourced from PubChem (CID 169299253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).