ethane;(10S,23S)-10-ethyl-18-fluoro-10-hydroxy-19-methyl-23-(oxomethylamino)-8-oxa-4,15-diazahexacyclo[14.7.1.02,14.04,13.06,11.020,24]tetracosa-1,6(11),12,14,16,18,20(24)-heptaene-5,9-dione;methanol;vanadium

C28H31FN3O6V- — CID 178046997

About ethane;(10S,23S)-10-ethyl-18-fluoro-10-hydroxy-19-methyl-23-(oxomethylamino)-8-oxa-4,15-diazahexacyclo[14.7.1.02,14.04,13.06,11.020,24]tetracosa-1,6(11),12,14,16,18,20(24)-heptaene-5,9-dione;methanol;vanadium

ethane;(10S,23S)-10-ethyl-18-fluoro-10-hydroxy-19-methyl-23-(oxomethylamino)-8-oxa-4,15-diazahexacyclo[14.7.1.02,14.04,13.06,11.020,24]tetracosa-1,6(11),12,14,16,18,20(24)-heptaene-5,9-dione;methanol;vanadium (PubChem CID 178046997) has the molecular formula C28H31FN3O6V- and a molecular weight of 575.51 g/mol. Its IUPAC name is ethane;(10S,23S)-10-ethyl-18-fluoro-10-hydroxy-19-methyl-23-(oxomethylamino)-8-oxa-4,15-diazahexacyclo[14.7.1.02,14.04,13.06,11.020,24]tetracosa-1,6(11),12,14,16,18,20(24)-heptaene-5,9-dione;methanol;vanadium.

Molecular Properties

• Compound Name: ethane;(10S,23S)-10-ethyl-18-fluoro-10-hydroxy-19-methyl-23-(oxomethylamino)-8-oxa-4,15-diazahexacyclo[14.7.1.02,14.04,13.06,11.020,24]tetracosa-1,6(11),12,14,16,18,20(24)-heptaene-5,9-dione;methanol;vanadium
• PubChem CID: 178046997
• Molecular Formula: C28H31FN3O6V-
• Molecular Weight: 575.51 g/mol
• Exact Mass: 575.16
• IUPAC Name: ethane;(10S,23S)-10-ethyl-18-fluoro-10-hydroxy-19-methyl-23-(oxomethylamino)-8-oxa-4,15-diazahexacyclo[14.7.1.02,14.04,13.06,11.020,24]tetracosa-1,6(11),12,14,16,18,20(24)-heptaene-5,9-dione;methanol;vanadium
• SMILES: CC.CC[C@@]1(O)C(=O)OCc2c1cc1n(c2=O)Cc2c-1nc1cc(F)c(C)c3c1c2[C@@H](N[C-]=O)CC3.CO.[V]
• InChI: InChI=1S/C25H21FN3O5.C2H6.CH4O.V/c1-3-25(33)15-6-19-22-13(8-29(19)23(31)14(15)9-34-24(25)32)21-17(27-10-30)5-4-12-11(2)16(26)7-18(28-22)20(12)21;2*1-2;/h6-7,17,33H,3-5,8-9H2,1-2H3,(H,27,30);1-2H3;2H,1H3;/q-1;;;/t17-,25-;;;/m0.../s1
• InChIKey: KVTQUGAFBAZYOR-DDAVBQCGSA-N
• XLogP: 2.80
• TPSA: 130.75 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 3
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	575.51
LogP ≤ 5	2.80
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'enamine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of ethane;(10S,23S)-10-ethyl-18-fluoro-10-hydroxy-19-methyl-23-(oxomethylamino)-8-oxa-4,15-diazahexacyclo[14.7.1.02,14.04,13.06,11.020,24]tetracosa-1,6(11),12,14,16,18,20(24)-heptaene-5,9-dione;methanol;vanadium?

The IUPAC name of ethane;(10S,23S)-10-ethyl-18-fluoro-10-hydroxy-19-methyl-23-(oxomethylamino)-8-oxa-4,15-diazahexacyclo[14.7.1.02,14.04,13.06,11.020,24]tetracosa-1,6(11),12,14,16,18,20(24)-heptaene-5,9-dione;methanol;vanadium (CID 178046997) is ethane;(10S,23S)-10-ethyl-18-fluoro-10-hydroxy-19-methyl-23-(oxomethylamino)-8-oxa-4,15-diazahexacyclo[14.7.1.02,14.04,13.06,11.020,24]tetracosa-1,6(11),12,14,16,18,20(24)-heptaene-5,9-dione;methanol;vanadium.

What is the SMILES notation for ethane;(10S,23S)-10-ethyl-18-fluoro-10-hydroxy-19-methyl-23-(oxomethylamino)-8-oxa-4,15-diazahexacyclo[14.7.1.02,14.04,13.06,11.020,24]tetracosa-1,6(11),12,14,16,18,20(24)-heptaene-5,9-dione;methanol;vanadium?

The canonical SMILES for ethane;(10S,23S)-10-ethyl-18-fluoro-10-hydroxy-19-methyl-23-(oxomethylamino)-8-oxa-4,15-diazahexacyclo[14.7.1.02,14.04,13.06,11.020,24]tetracosa-1,6(11),12,14,16,18,20(24)-heptaene-5,9-dione;methanol;vanadium is CC.CC[C@@]1(O)C(=O)OCc2c1cc1n(c2=O)Cc2c-1nc1cc(F)c(C)c3c1c2[C@@H](N[C-]=O)CC3.CO.[V].

What is the InChIKey of ethane;(10S,23S)-10-ethyl-18-fluoro-10-hydroxy-19-methyl-23-(oxomethylamino)-8-oxa-4,15-diazahexacyclo[14.7.1.02,14.04,13.06,11.020,24]tetracosa-1,6(11),12,14,16,18,20(24)-heptaene-5,9-dione;methanol;vanadium?

The InChIKey is KVTQUGAFBAZYOR-DDAVBQCGSA-N. The full InChI is InChI=1S/C25H21FN3O5.C2H6.CH4O.V/c1-3-25(33)15-6-19-22-13(8-29(19)23(31)14(15)9-34-24(25)32)21-17(27-10-30)5-4-12-11(2)16(26)7-18(28-22)20(12)21;2*1-2;/h6-7,17,33H,3-5,8-9H2,1-2H3,(H,27,30);1-2H3;2H,1H3;/q-1;;;/t17-,25-;;;/m0.../s1.

What are the key properties of ethane;(10S,23S)-10-ethyl-18-fluoro-10-hydroxy-19-methyl-23-(oxomethylamino)-8-oxa-4,15-diazahexacyclo[14.7.1.02,14.04,13.06,11.020,24]tetracosa-1,6(11),12,14,16,18,20(24)-heptaene-5,9-dione;methanol;vanadium?

ethane;(10S,23S)-10-ethyl-18-fluoro-10-hydroxy-19-methyl-23-(oxomethylamino)-8-oxa-4,15-diazahexacyclo[14.7.1.02,14.04,13.06,11.020,24]tetracosa-1,6(11),12,14,16,18,20(24)-heptaene-5,9-dione;methanol;vanadium has a molecular weight of 575.51 g/mol, XLogP of 2.80, 3 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for ethane;(10S,23S)-10-ethyl-18-fluoro-10-hydroxy-19-methyl-23-(oxomethylamino)-8-oxa-4,15-diazahexacyclo[14.7.1.02,14.04,13.06,11.020,24]tetracosa-1,6(11),12,14,16,18,20(24)-heptaene-5,9-dione;methanol;vanadium is sourced from PubChem (CID 178046997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).