CID 157243310

C60H156F2N2O16 — CID 157243310

About CID 157243310

CID 157243310 (PubChem CID 157243310) has the molecular formula C60H156F2N2O16 and a molecular weight of 1356.53 g/mol.

Molecular Properties

• Compound Name: CID 157243310
• PubChem CID: 157243310
• Molecular Formula: C60H156F2N2O16
• Molecular Weight: 1356.53 g/mol
• Exact Mass: 1355.78
• IUPAC Name: —
• SMILES: CC(=O)NCCc1ccc(OC2O[C@H](C)[C@H](C)[C@H](C)[C@H]2OC(C)=O)cc1-c1cccc(F)c1.CC(=O)NCCc1ccc(OC2O[C@H](C)[C@H](O)[C@H](O)[C@H]2O)cc1-c1cccc(F)c1.CC(=O)OC1O[C@H](C)[C@H](C)[C@H](C)[C@H]1OC(C)=O.[3H][3H].[3H][3H].[3H][3H].[3H][3H].[3H][3H].[3H][3H].[3H][3H].[3H][3H].[3H][3H].[3H][3H].[3H][3H].[3H][3H].[3H][3H].[3H][3H].[3H][3H].[3H][3H].[3H][3H].[3H][3H].[3H][3H].[3H][3H].[3H][3H].[3H][3H].[3H][3H].[3H][3H].[3H][3H].[3H][3H].[3H][3H].[3H][3H].[3H][3H].[3H][3H].[3H][3H].[3H][3H].[3H][3H].[3H][3H].[3H][3H].[3H][3H].[3H][3H].[3H][3H].[3H][3H]
• InChI: InChI=1S/C26H32FNO5.C22H26FNO6.C12H20O5.39H2/c1-15-16(2)25(32-19(5)30)26(31-17(15)3)33-23-10-9-20(11-12-28-18(4)29)24(14-23)21-7-6-8-22(27)13-21;1-12-19(26)20(27)21(28)22(29-12)30-17-7-6-14(8-9-24-13(2)25)18(11-17)15-4-3-5-16(23)10-15;1-6-7(2)11(16-9(4)13)12(15-8(6)3)17-10(5)14;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/h6-10,13-17,25-26H,11-12H2,1-5H3,(H,28,29);3-7,10-12,19-22,26-28H,8-9H2,1-2H3,(H,24,25);6-8,11-12H,1-5H3;39*1H/t15-,16+,17-,25-,26?;12-,19+,20+,21-,22?;6-,7+,8-,11-,12?;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/m111......................................./s1/i;;;39*1+2T
• InChIKey: AVLQLKAVSBLIKW-FAJRCNFFSA-N
• XLogP: 16.97
• TPSA: 243.94 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 16
• Rotatable Bonds: 15
• Heavy Atoms: 80
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1356.53
LogP ≤ 5	16.97
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	16

Frequently Asked Questions

What is the IUPAC name of CID 157243310?

The IUPAC name of CID 157243310 (CID 157243310) is not available.

What is the SMILES notation for CID 157243310?

The canonical SMILES for CID 157243310 is CC(=O)NCCc1ccc(OC2O[C@H](C)[C@H](C)[C@H](C)[C@H]2OC(C)=O)cc1-c1cccc(F)c1.CC(=O)NCCc1ccc(OC2O[C@H](C)[C@H](O)[C@H](O)[C@H]2O)cc1-c1cccc(F)c1.CC(=O)OC1O[C@H](C)[C@H](C)[C@H](C)[C@H]1OC(C)=O.[3H][3H].[3H][3H].[3H][3H].[3H][3H].[3H][3H].[3H][3H].[3H][3H].[3H][3H].[3H][3H].[3H][3H].[3H][3H].[3H][3H].[3H][3H].[3H][3H].[3H][3H].[3H][3H].[3H][3H].[3H][3H].[3H][3H].[3H][3H].[3H][3H].[3H][3H].[3H][3H].[3H][3H].[3H][3H].[3H][3H].[3H][3H].[3H][3H].[3H][3H].[3H][3H].[3H][3H].[3H][3H].[3H][3H].[3H][3H].[3H][3H].[3H][3H].[3H][3H].[3H][3H].[3H][3H].

What is the InChIKey of CID 157243310?

The InChIKey is AVLQLKAVSBLIKW-FAJRCNFFSA-N. The full InChI is InChI=1S/C26H32FNO5.C22H26FNO6.C12H20O5.39H2/c1-15-16(2)25(32-19(5)30)26(31-17(15)3)33-23-10-9-20(11-12-28-18(4)29)24(14-23)21-7-6-8-22(27)13-21;1-12-19(26)20(27)21(28)22(29-12)30-17-7-6-14(8-9-24-13(2)25)18(11-17)15-4-3-5-16(23)10-15;1-6-7(2)11(16-9(4)13)12(15-8(6)3)17-10(5)14;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/h6-10,13-17,25-26H,11-12H2,1-5H3,(H,28,29);3-7,10-12,19-22,26-28H,8-9H2,1-2H3,(H,24,25);6-8,11-12H,1-5H3;39*1H/t15-,16+,17-,25-,26?;12-,19+,20+,21-,22?;6-,7+,8-,11-,12?;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/m111......................................./s1/i;;;39*1+2T.

What are the key properties of CID 157243310?

CID 157243310 has a molecular weight of 1356.53 g/mol, XLogP of 16.97, 15 rotatable bonds, 5 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for CID 157243310 is sourced from PubChem (CID 157243310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).