[(2R,3R,4S)-4-fluoro-5-hydroxy-3-(naphthalene-2-carbonyloxy)oxolan-2-yl]methyl naphthalene-2-carboxylate;[(2R,3R,4S)-4-fluoro-5-methoxy-3-(naphthalene-2-carbonyloxy)oxolan-2-yl]methyl naphthalene-2-carboxylate

C55H44F2O12 — CID 158886305

About [(2R,3R,4S)-4-fluoro-5-hydroxy-3-(naphthalene-2-carbonyloxy)oxolan-2-yl]methyl naphthalene-2-carboxylate;[(2R,3R,4S)-4-fluoro-5-methoxy-3-(naphthalene-2-carbonyloxy)oxolan-2-yl]methyl naphthalene-2-carboxylate

[(2R,3R,4S)-4-fluoro-5-hydroxy-3-(naphthalene-2-carbonyloxy)oxolan-2-yl]methyl naphthalene-2-carboxylate;[(2R,3R,4S)-4-fluoro-5-methoxy-3-(naphthalene-2-carbonyloxy)oxolan-2-yl]methyl naphthalene-2-carboxylate (PubChem CID 158886305) has the molecular formula C55H44F2O12 and a molecular weight of 934.94 g/mol. Its IUPAC name is [(2R,3R,4S)-4-fluoro-5-hydroxy-3-(naphthalene-2-carbonyloxy)oxolan-2-yl]methyl naphthalene-2-carboxylate;[(2R,3R,4S)-4-fluoro-5-methoxy-3-(naphthalene-2-carbonyloxy)oxolan-2-yl]methyl naphthalene-2-carboxylate.

Molecular Properties

• Compound Name: [(2R,3R,4S)-4-fluoro-5-hydroxy-3-(naphthalene-2-carbonyloxy)oxolan-2-yl]methyl naphthalene-2-carboxylate;[(2R,3R,4S)-4-fluoro-5-methoxy-3-(naphthalene-2-carbonyloxy)oxolan-2-yl]methyl naphthalene-2-carboxylate
• PubChem CID: 158886305
• Molecular Formula: C55H44F2O12
• Molecular Weight: 934.94 g/mol
• Exact Mass: 934.28
• IUPAC Name: [(2R,3R,4S)-4-fluoro-5-hydroxy-3-(naphthalene-2-carbonyloxy)oxolan-2-yl]methyl naphthalene-2-carboxylate;[(2R,3R,4S)-4-fluoro-5-methoxy-3-(naphthalene-2-carbonyloxy)oxolan-2-yl]methyl naphthalene-2-carboxylate
• SMILES: COC1O[C@H](COC(=O)c2ccc3ccccc3c2)[C@@H](OC(=O)c2ccc3ccccc3c2)[C@@H]1F.O=C(OC[C@H]1OC(O)[C@@H](F)[C@@H]1OC(=O)c1ccc2ccccc2c1)c1ccc2ccccc2c1
• InChI: InChI=1S/C28H23FO6.C27H21FO6/c1-32-28-24(29)25(35-27(31)22-13-11-18-7-3-5-9-20(18)15-22)23(34-28)16-33-26(30)21-12-10-17-6-2-4-8-19(17)14-21;28-23-24(34-26(30)21-12-10-17-6-2-4-8-19(17)14-21)22(33-27(23)31)15-32-25(29)20-11-9-16-5-1-3-7-18(16)13-20/h2-15,23-25,28H,16H2,1H3;1-14,22-24,27,31H,15H2/t23-,24+,25-,28?;22-,23+,24-,27?/m11/s1
• InChIKey: JDRDMSITCIPVLD-BVTYCWOWSA-N
• XLogP: 9.52
• TPSA: 153.12 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 12
• Rotatable Bonds: 11
• Heavy Atoms: 69
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	934.94
LogP ≤ 5	9.52
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [(2R,3R,4S)-4-fluoro-5-hydroxy-3-(naphthalene-2-carbonyloxy)oxolan-2-yl]methyl naphthalene-2-carboxylate;[(2R,3R,4S)-4-fluoro-5-methoxy-3-(naphthalene-2-carbonyloxy)oxolan-2-yl]methyl naphthalene-2-carboxylate?

The IUPAC name of [(2R,3R,4S)-4-fluoro-5-hydroxy-3-(naphthalene-2-carbonyloxy)oxolan-2-yl]methyl naphthalene-2-carboxylate;[(2R,3R,4S)-4-fluoro-5-methoxy-3-(naphthalene-2-carbonyloxy)oxolan-2-yl]methyl naphthalene-2-carboxylate (CID 158886305) is [(2R,3R,4S)-4-fluoro-5-hydroxy-3-(naphthalene-2-carbonyloxy)oxolan-2-yl]methyl naphthalene-2-carboxylate;[(2R,3R,4S)-4-fluoro-5-methoxy-3-(naphthalene-2-carbonyloxy)oxolan-2-yl]methyl naphthalene-2-carboxylate.

What is the SMILES notation for [(2R,3R,4S)-4-fluoro-5-hydroxy-3-(naphthalene-2-carbonyloxy)oxolan-2-yl]methyl naphthalene-2-carboxylate;[(2R,3R,4S)-4-fluoro-5-methoxy-3-(naphthalene-2-carbonyloxy)oxolan-2-yl]methyl naphthalene-2-carboxylate?

The canonical SMILES for [(2R,3R,4S)-4-fluoro-5-hydroxy-3-(naphthalene-2-carbonyloxy)oxolan-2-yl]methyl naphthalene-2-carboxylate;[(2R,3R,4S)-4-fluoro-5-methoxy-3-(naphthalene-2-carbonyloxy)oxolan-2-yl]methyl naphthalene-2-carboxylate is COC1O[C@H](COC(=O)c2ccc3ccccc3c2)[C@@H](OC(=O)c2ccc3ccccc3c2)[C@@H]1F.O=C(OC[C@H]1OC(O)[C@@H](F)[C@@H]1OC(=O)c1ccc2ccccc2c1)c1ccc2ccccc2c1.

What is the InChIKey of [(2R,3R,4S)-4-fluoro-5-hydroxy-3-(naphthalene-2-carbonyloxy)oxolan-2-yl]methyl naphthalene-2-carboxylate;[(2R,3R,4S)-4-fluoro-5-methoxy-3-(naphthalene-2-carbonyloxy)oxolan-2-yl]methyl naphthalene-2-carboxylate?

The InChIKey is JDRDMSITCIPVLD-BVTYCWOWSA-N. The full InChI is InChI=1S/C28H23FO6.C27H21FO6/c1-32-28-24(29)25(35-27(31)22-13-11-18-7-3-5-9-20(18)15-22)23(34-28)16-33-26(30)21-12-10-17-6-2-4-8-19(17)14-21;28-23-24(34-26(30)21-12-10-17-6-2-4-8-19(17)14-21)22(33-27(23)31)15-32-25(29)20-11-9-16-5-1-3-7-18(16)13-20/h2-15,23-25,28H,16H2,1H3;1-14,22-24,27,31H,15H2/t23-,24+,25-,28?;22-,23+,24-,27?/m11/s1.

What are the key properties of [(2R,3R,4S)-4-fluoro-5-hydroxy-3-(naphthalene-2-carbonyloxy)oxolan-2-yl]methyl naphthalene-2-carboxylate;[(2R,3R,4S)-4-fluoro-5-methoxy-3-(naphthalene-2-carbonyloxy)oxolan-2-yl]methyl naphthalene-2-carboxylate?

[(2R,3R,4S)-4-fluoro-5-hydroxy-3-(naphthalene-2-carbonyloxy)oxolan-2-yl]methyl naphthalene-2-carboxylate;[(2R,3R,4S)-4-fluoro-5-methoxy-3-(naphthalene-2-carbonyloxy)oxolan-2-yl]methyl naphthalene-2-carboxylate has a molecular weight of 934.94 g/mol, XLogP of 9.52, 11 rotatable bonds, 1 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for [(2R,3R,4S)-4-fluoro-5-hydroxy-3-(naphthalene-2-carbonyloxy)oxolan-2-yl]methyl naphthalene-2-carboxylate;[(2R,3R,4S)-4-fluoro-5-methoxy-3-(naphthalene-2-carbonyloxy)oxolan-2-yl]methyl naphthalene-2-carboxylate is sourced from PubChem (CID 158886305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).