(2S)-6-fluoro-2-[(1S)-2-[[(2S)-2-[(2S)-6-fluoro-4-hydroxy-3,4-dihydro-2H-chromen-2-yl]-2-hydroxyethyl]amino]-1-hydroxyethyl]-3,4-dihydro-2H-chromen-4-ol

C22H25F2NO6 — CID 10388360

About (2S)-6-fluoro-2-[(1S)-2-[[(2S)-2-[(2S)-6-fluoro-4-hydroxy-3,4-dihydro-2H-chromen-2-yl]-2-hydroxyethyl]amino]-1-hydroxyethyl]-3,4-dihydro-2H-chromen-4-ol

(2S)-6-fluoro-2-[(1S)-2-[[(2S)-2-[(2S)-6-fluoro-4-hydroxy-3,4-dihydro-2H-chromen-2-yl]-2-hydroxyethyl]amino]-1-hydroxyethyl]-3,4-dihydro-2H-chromen-4-ol (PubChem CID 10388360) has the molecular formula C22H25F2NO6 and a molecular weight of 437.44 g/mol. Its IUPAC name is (2S)-6-fluoro-2-[(1S)-2-[[(2S)-2-[(2S)-6-fluoro-4-hydroxy-3,4-dihydro-2H-chromen-2-yl]-2-hydroxyethyl]amino]-1-hydroxyethyl]-3,4-dihydro-2H-chromen-4-ol.

Molecular Properties

• Compound Name: (2S)-6-fluoro-2-[(1S)-2-[[(2S)-2-[(2S)-6-fluoro-4-hydroxy-3,4-dihydro-2H-chromen-2-yl]-2-hydroxyethyl]amino]-1-hydroxyethyl]-3,4-dihydro-2H-chromen-4-ol
• PubChem CID: 10388360
• Molecular Formula: C22H25F2NO6
• Molecular Weight: 437.44 g/mol
• Exact Mass: 437.16
• IUPAC Name: (2S)-6-fluoro-2-[(1S)-2-[[(2S)-2-[(2S)-6-fluoro-4-hydroxy-3,4-dihydro-2H-chromen-2-yl]-2-hydroxyethyl]amino]-1-hydroxyethyl]-3,4-dihydro-2H-chromen-4-ol
• SMILES: OC1C[C@@H]([C@@H](O)CNC[C@H](O)[C@@H]2CC(O)c3cc(F)ccc3O2)Oc2ccc(F)cc21
• InChI: InChI=1S/C22H25F2NO6/c23-11-1-3-19-13(5-11)15(26)7-21(30-19)17(28)9-25-10-18(29)22-8-16(27)14-6-12(24)2-4-20(14)31-22/h1-6,15-18,21-22,25-29H,7-10H2/t15?,16?,17-,18-,21-,22-/m0/s1
• InChIKey: XGWXKHIGCYTXKT-DXOXMVMBSA-N
• XLogP: 1.35
• TPSA: 111.41 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	437.44
LogP ≤ 5	1.35
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of (2S)-6-fluoro-2-[(1S)-2-[[(2S)-2-[(2S)-6-fluoro-4-hydroxy-3,4-dihydro-2H-chromen-2-yl]-2-hydroxyethyl]amino]-1-hydroxyethyl]-3,4-dihydro-2H-chromen-4-ol?

The IUPAC name of (2S)-6-fluoro-2-[(1S)-2-[[(2S)-2-[(2S)-6-fluoro-4-hydroxy-3,4-dihydro-2H-chromen-2-yl]-2-hydroxyethyl]amino]-1-hydroxyethyl]-3,4-dihydro-2H-chromen-4-ol (CID 10388360) is (2S)-6-fluoro-2-[(1S)-2-[[(2S)-2-[(2S)-6-fluoro-4-hydroxy-3,4-dihydro-2H-chromen-2-yl]-2-hydroxyethyl]amino]-1-hydroxyethyl]-3,4-dihydro-2H-chromen-4-ol.

What is the SMILES notation for (2S)-6-fluoro-2-[(1S)-2-[[(2S)-2-[(2S)-6-fluoro-4-hydroxy-3,4-dihydro-2H-chromen-2-yl]-2-hydroxyethyl]amino]-1-hydroxyethyl]-3,4-dihydro-2H-chromen-4-ol?

The canonical SMILES for (2S)-6-fluoro-2-[(1S)-2-[[(2S)-2-[(2S)-6-fluoro-4-hydroxy-3,4-dihydro-2H-chromen-2-yl]-2-hydroxyethyl]amino]-1-hydroxyethyl]-3,4-dihydro-2H-chromen-4-ol is OC1C[C@@H]([C@@H](O)CNC[C@H](O)[C@@H]2CC(O)c3cc(F)ccc3O2)Oc2ccc(F)cc21.

What is the InChIKey of (2S)-6-fluoro-2-[(1S)-2-[[(2S)-2-[(2S)-6-fluoro-4-hydroxy-3,4-dihydro-2H-chromen-2-yl]-2-hydroxyethyl]amino]-1-hydroxyethyl]-3,4-dihydro-2H-chromen-4-ol?

The InChIKey is XGWXKHIGCYTXKT-DXOXMVMBSA-N. The full InChI is InChI=1S/C22H25F2NO6/c23-11-1-3-19-13(5-11)15(26)7-21(30-19)17(28)9-25-10-18(29)22-8-16(27)14-6-12(24)2-4-20(14)31-22/h1-6,15-18,21-22,25-29H,7-10H2/t15?,16?,17-,18-,21-,22-/m0/s1.

What are the key properties of (2S)-6-fluoro-2-[(1S)-2-[[(2S)-2-[(2S)-6-fluoro-4-hydroxy-3,4-dihydro-2H-chromen-2-yl]-2-hydroxyethyl]amino]-1-hydroxyethyl]-3,4-dihydro-2H-chromen-4-ol?

(2S)-6-fluoro-2-[(1S)-2-[[(2S)-2-[(2S)-6-fluoro-4-hydroxy-3,4-dihydro-2H-chromen-2-yl]-2-hydroxyethyl]amino]-1-hydroxyethyl]-3,4-dihydro-2H-chromen-4-ol has a molecular weight of 437.44 g/mol, XLogP of 1.35, 6 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for (2S)-6-fluoro-2-[(1S)-2-[[(2S)-2-[(2S)-6-fluoro-4-hydroxy-3,4-dihydro-2H-chromen-2-yl]-2-hydroxyethyl]amino]-1-hydroxyethyl]-3,4-dihydro-2H-chromen-4-ol is sourced from PubChem (CID 10388360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).