(7R)-12-cyclopropyl-18-fluoro-5-[[2-fluoro-4-[(5R)-5-(hydroxymethyl)-2-oxo-1,3-oxazolidin-3-yl]phenoxy]methyl]-5-hydroxy-15-oxo-9-oxa-2,12-diazatetracyclo[8.8.0.02,7.011,16]octadeca-1(18),10,13,16-tetraene-14-carboxylic acid

C30H29F2N3O9 — CID 66733698

About (7R)-12-cyclopropyl-18-fluoro-5-[[2-fluoro-4-[(5R)-5-(hydroxymethyl)-2-oxo-1,3-oxazolidin-3-yl]phenoxy]methyl]-5-hydroxy-15-oxo-9-oxa-2,12-diazatetracyclo[8.8.0.02,7.011,16]octadeca-1(18),10,13,16-tetraene-14-carboxylic acid

(7R)-12-cyclopropyl-18-fluoro-5-[[2-fluoro-4-[(5R)-5-(hydroxymethyl)-2-oxo-1,3-oxazolidin-3-yl]phenoxy]methyl]-5-hydroxy-15-oxo-9-oxa-2,12-diazatetracyclo[8.8.0.02,7.011,16]octadeca-1(18),10,13,16-tetraene-14-carboxylic acid (PubChem CID 66733698) has the molecular formula C30H29F2N3O9 and a molecular weight of 613.57 g/mol. Its IUPAC name is (7R)-12-cyclopropyl-18-fluoro-5-[[2-fluoro-4-[(5R)-5-(hydroxymethyl)-2-oxo-1,3-oxazolidin-3-yl]phenoxy]methyl]-5-hydroxy-15-oxo-9-oxa-2,12-diazatetracyclo[8.8.0.02,7.011,16]octadeca-1(18),10,13,16-tetraene-14-carboxylic acid.

Molecular Properties

• Compound Name: (7R)-12-cyclopropyl-18-fluoro-5-[[2-fluoro-4-[(5R)-5-(hydroxymethyl)-2-oxo-1,3-oxazolidin-3-yl]phenoxy]methyl]-5-hydroxy-15-oxo-9-oxa-2,12-diazatetracyclo[8.8.0.02,7.011,16]octadeca-1(18),10,13,16-tetraene-14-carboxylic acid
• PubChem CID: 66733698
• Molecular Formula: C30H29F2N3O9
• Molecular Weight: 613.57 g/mol
• Exact Mass: 613.19
• IUPAC Name: (7R)-12-cyclopropyl-18-fluoro-5-[[2-fluoro-4-[(5R)-5-(hydroxymethyl)-2-oxo-1,3-oxazolidin-3-yl]phenoxy]methyl]-5-hydroxy-15-oxo-9-oxa-2,12-diazatetracyclo[8.8.0.02,7.011,16]octadeca-1(18),10,13,16-tetraene-14-carboxylic acid
• SMILES: O=C(O)c1cn(C2CC2)c2c3c(c(F)cc2c1=O)N1CCC(O)(COc2ccc(N4C[C@H](CO)OC4=O)cc2F)C[C@@H]1CO3
• InChI: InChI=1S/C30H29F2N3O9/c31-21-7-16(35-10-18(12-36)44-29(35)40)3-4-23(21)43-14-30(41)5-6-33-17(9-30)13-42-27-24-19(8-22(32)25(27)33)26(37)20(28(38)39)11-34(24)15-1-2-15/h3-4,7-8,11,15,17-18,36,41H,1-2,5-6,9-10,12-14H2,(H,38,39)/t17-,18-,30?/m1/s1
• InChIKey: UJBBJLWIXYXPGZ-NDHPNTJJSA-N
• XLogP: 2.80
• TPSA: 151.00 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 10
• Rotatable Bonds: 7
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	613.57
LogP ≤ 5	2.80
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of (7R)-12-cyclopropyl-18-fluoro-5-[[2-fluoro-4-[(5R)-5-(hydroxymethyl)-2-oxo-1,3-oxazolidin-3-yl]phenoxy]methyl]-5-hydroxy-15-oxo-9-oxa-2,12-diazatetracyclo[8.8.0.02,7.011,16]octadeca-1(18),10,13,16-tetraene-14-carboxylic acid?

The IUPAC name of (7R)-12-cyclopropyl-18-fluoro-5-[[2-fluoro-4-[(5R)-5-(hydroxymethyl)-2-oxo-1,3-oxazolidin-3-yl]phenoxy]methyl]-5-hydroxy-15-oxo-9-oxa-2,12-diazatetracyclo[8.8.0.02,7.011,16]octadeca-1(18),10,13,16-tetraene-14-carboxylic acid (CID 66733698) is (7R)-12-cyclopropyl-18-fluoro-5-[[2-fluoro-4-[(5R)-5-(hydroxymethyl)-2-oxo-1,3-oxazolidin-3-yl]phenoxy]methyl]-5-hydroxy-15-oxo-9-oxa-2,12-diazatetracyclo[8.8.0.02,7.011,16]octadeca-1(18),10,13,16-tetraene-14-carboxylic acid.

What is the SMILES notation for (7R)-12-cyclopropyl-18-fluoro-5-[[2-fluoro-4-[(5R)-5-(hydroxymethyl)-2-oxo-1,3-oxazolidin-3-yl]phenoxy]methyl]-5-hydroxy-15-oxo-9-oxa-2,12-diazatetracyclo[8.8.0.02,7.011,16]octadeca-1(18),10,13,16-tetraene-14-carboxylic acid?

The canonical SMILES for (7R)-12-cyclopropyl-18-fluoro-5-[[2-fluoro-4-[(5R)-5-(hydroxymethyl)-2-oxo-1,3-oxazolidin-3-yl]phenoxy]methyl]-5-hydroxy-15-oxo-9-oxa-2,12-diazatetracyclo[8.8.0.02,7.011,16]octadeca-1(18),10,13,16-tetraene-14-carboxylic acid is O=C(O)c1cn(C2CC2)c2c3c(c(F)cc2c1=O)N1CCC(O)(COc2ccc(N4C[C@H](CO)OC4=O)cc2F)C[C@@H]1CO3.

What is the InChIKey of (7R)-12-cyclopropyl-18-fluoro-5-[[2-fluoro-4-[(5R)-5-(hydroxymethyl)-2-oxo-1,3-oxazolidin-3-yl]phenoxy]methyl]-5-hydroxy-15-oxo-9-oxa-2,12-diazatetracyclo[8.8.0.02,7.011,16]octadeca-1(18),10,13,16-tetraene-14-carboxylic acid?

The InChIKey is UJBBJLWIXYXPGZ-NDHPNTJJSA-N. The full InChI is InChI=1S/C30H29F2N3O9/c31-21-7-16(35-10-18(12-36)44-29(35)40)3-4-23(21)43-14-30(41)5-6-33-17(9-30)13-42-27-24-19(8-22(32)25(27)33)26(37)20(28(38)39)11-34(24)15-1-2-15/h3-4,7-8,11,15,17-18,36,41H,1-2,5-6,9-10,12-14H2,(H,38,39)/t17-,18-,30?/m1/s1.

What are the key properties of (7R)-12-cyclopropyl-18-fluoro-5-[[2-fluoro-4-[(5R)-5-(hydroxymethyl)-2-oxo-1,3-oxazolidin-3-yl]phenoxy]methyl]-5-hydroxy-15-oxo-9-oxa-2,12-diazatetracyclo[8.8.0.02,7.011,16]octadeca-1(18),10,13,16-tetraene-14-carboxylic acid?

(7R)-12-cyclopropyl-18-fluoro-5-[[2-fluoro-4-[(5R)-5-(hydroxymethyl)-2-oxo-1,3-oxazolidin-3-yl]phenoxy]methyl]-5-hydroxy-15-oxo-9-oxa-2,12-diazatetracyclo[8.8.0.02,7.011,16]octadeca-1(18),10,13,16-tetraene-14-carboxylic acid has a molecular weight of 613.57 g/mol, XLogP of 2.80, 7 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for (7R)-12-cyclopropyl-18-fluoro-5-[[2-fluoro-4-[(5R)-5-(hydroxymethyl)-2-oxo-1,3-oxazolidin-3-yl]phenoxy]methyl]-5-hydroxy-15-oxo-9-oxa-2,12-diazatetracyclo[8.8.0.02,7.011,16]octadeca-1(18),10,13,16-tetraene-14-carboxylic acid is sourced from PubChem (CID 66733698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).