ethane;18-fluoro-10-hydroxy-19,21,24,24-tetramethyl-8-oxa-4,15-diazahexacyclo[14.9.1.02,14.04,13.06,11.020,26]hexacosa-1,6(11),12,14,16,18,20(26)-heptaene-5,9-dione;methanol;tungsten

C30H37FN2O5W — CID 168986628

IUPACethane;18-fluoro-10-hydroxy-19,21,24,24-tetramethyl-8-oxa-4,15-diazahexacyclo[14.9.1.02,14.04,13.06,11.020,26]hexacosa-1,6(11),12,14,16,18,20(26)-heptaene-5,9-dione;methanol;tungsten
SMILESCC.CO.Cc1c(F)cc2nc3c(c4c2c1C(C)CCC(C)(C)C4)Cn1c-3cc2c(c1=O)COC(=O)C2O.[W]
InChIInChI=1S/C27H27FN2O4.C2H6.CH4O.W/c1-12-5-6-27(3,4)9-15-16-10-30-20(7-14-17(25(30)32)11-34-26(33)24(14)31)23(16)29-19-8-18(28)13(2)21(12)22(15)19;2*1-2;/h7-8,12,24,31H,5-6,9-11H2,1-4H3;1-2H3;2H,1H3;
InChIKeyAYICPHWXXOLXGA-UHFFFAOYSA-N
MW708.47 g/mol
LogP5.06
Rot. Bonds

About ethane;18-fluoro-10-hydroxy-19,21,24,24-tetramethyl-8-oxa-4,15-diazahexacyclo[14.9.1.02,14.04,13.06,11.020,26]hexacosa-1,6(11),12,14,16,18,20(26)-heptaene-5,9-dione;methanol;tungsten

ethane;18-fluoro-10-hydroxy-19,21,24,24-tetramethyl-8-oxa-4,15-diazahexacyclo[14.9.1.02,14.04,13.06,11.020,26]hexacosa-1,6(11),12,14,16,18,20(26)-heptaene-5,9-dione;methanol;tungsten (PubChem CID 168986628) has the molecular formula C30H37FN2O5W and a molecular weight of 708.47 g/mol. Its IUPAC name is ethane;18-fluoro-10-hydroxy-19,21,24,24-tetramethyl-8-oxa-4,15-diazahexacyclo[14.9.1.02,14.04,13.06,11.020,26]hexacosa-1,6(11),12,14,16,18,20(26)-heptaene-5,9-dione;methanol;tungsten.

Molecular Properties

Compound Nameethane;18-fluoro-10-hydroxy-19,21,24,24-tetramethyl-8-oxa-4,15-diazahexacyclo[14.9.1.02,14.04,13.06,11.020,26]hexacosa-1,6(11),12,14,16,18,20(26)-heptaene-5,9-dione;methanol;tungsten
PubChem CID168986628
Molecular FormulaC30H37FN2O5W
Molecular Weight708.47 g/mol
Exact Mass708.22
IUPAC Nameethane;18-fluoro-10-hydroxy-19,21,24,24-tetramethyl-8-oxa-4,15-diazahexacyclo[14.9.1.02,14.04,13.06,11.020,26]hexacosa-1,6(11),12,14,16,18,20(26)-heptaene-5,9-dione;methanol;tungsten
SMILESCC.CO.Cc1c(F)cc2nc3c(c4c2c1C(C)CCC(C)(C)C4)Cn1c-3cc2c(c1=O)COC(=O)C2O.[W]
InChIInChI=1S/C27H27FN2O4.C2H6.CH4O.W/c1-12-5-6-27(3,4)9-15-16-10-30-20(7-14-17(25(30)32)11-34-26(33)24(14)31)23(16)29-19-8-18(28)13(2)21(12)22(15)19;2*1-2;/h7-8,12,24,31H,5-6,9-11H2,1-4H3;1-2H3;2H,1H3;
InChIKeyAYICPHWXXOLXGA-UHFFFAOYSA-N
XLogP5.06
TPSA101.65 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500708.47
LogP ≤ 55.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze ethane;18-fluoro-10-hydroxy-19,21,24,24-tetramethyl-8-oxa-4,15-diazahexacyclo[14.9.1.02,14.04,13.06,11.020,26]hexacosa-1,6(11),12,14,16,18,20(26)-heptaene-5,9-dione;methanol;tungsten with MolForge

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Related Compounds

ethane;(23S)-18-fluoro-10-hydroxy-19,23-dimethyl-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
CID 176995303
ethane;18-fluoro-10-hydroxy-19-methyl-8-oxa-4,15-diazahexacyclo[14.6.1.02,14.04,13.06,11.020,23]tricosa-1,6(11),12,14,16,18,20(23)-heptaene-5,9-dione
CID 166490463
22-amino-18-fluoro-10-hydroxy-19-methyl-8-oxa-4,15-diazahexacyclo[14.6.1.02,14.04,13.06,11.020,23]tricosa-1,6(11),12,14,16,18,20(23)-heptaene-5,9-dione;ethane
CID 166490430
ethane;18-fluoro-10-hydroxy-19-methyl-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;formaldehyde;methoxymethane
CID 170975407
18-fluoro-10,23-dihydroxy-19,23-dimethyl-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
CID 166490499
ethane;ethene;(10S)-18-fluoro-10-hydroxy-19-methyl-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;methanamine
CID 170724281
ethane;18-fluoro-10-hydroxy-19,23-dimethyl-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;4-hydroxybutanamide
CID 166490531
18-fluoro-10-hydroxy-23-(hydroxymethyl)-19-methyl-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
CID 170751537
10-ethyl-6-fluoro-19-hydroxy-7,8-dimethyl-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,15(20)-heptaene-14,18-dione
CID 156842132
8-amino-10-ethyl-6-fluoro-19-hydroxy-7-methyl-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,15(20)-heptaene-14,18-dione
CID 156842079
ethane;(10S)-18-fluoro-10-hydroxy-19-methylspiro[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-23,3'-azetidine]-5,9-dione
CID 170751609
ethane;(23R)-18-fluoro-10-hydroxy-19-methyl-23-(2-oxopyrrolidin-1-yl)-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
CID 170752005

Frequently Asked Questions

What is the IUPAC name of ethane;18-fluoro-10-hydroxy-19,21,24,24-tetramethyl-8-oxa-4,15-diazahexacyclo[14.9.1.02,14.04,13.06,11.020,26]hexacosa-1,6(11),12,14,16,18,20(26)-heptaene-5,9-dione;methanol;tungsten?
The IUPAC name of ethane;18-fluoro-10-hydroxy-19,21,24,24-tetramethyl-8-oxa-4,15-diazahexacyclo[14.9.1.02,14.04,13.06,11.020,26]hexacosa-1,6(11),12,14,16,18,20(26)-heptaene-5,9-dione;methanol;tungsten (CID 168986628) is ethane;18-fluoro-10-hydroxy-19,21,24,24-tetramethyl-8-oxa-4,15-diazahexacyclo[14.9.1.02,14.04,13.06,11.020,26]hexacosa-1,6(11),12,14,16,18,20(26)-heptaene-5,9-dione;methanol;tungsten.
What is the SMILES notation for ethane;18-fluoro-10-hydroxy-19,21,24,24-tetramethyl-8-oxa-4,15-diazahexacyclo[14.9.1.02,14.04,13.06,11.020,26]hexacosa-1,6(11),12,14,16,18,20(26)-heptaene-5,9-dione;methanol;tungsten?
The canonical SMILES for ethane;18-fluoro-10-hydroxy-19,21,24,24-tetramethyl-8-oxa-4,15-diazahexacyclo[14.9.1.02,14.04,13.06,11.020,26]hexacosa-1,6(11),12,14,16,18,20(26)-heptaene-5,9-dione;methanol;tungsten is CC.CO.Cc1c(F)cc2nc3c(c4c2c1C(C)CCC(C)(C)C4)Cn1c-3cc2c(c1=O)COC(=O)C2O.[W].
What is the InChIKey of ethane;18-fluoro-10-hydroxy-19,21,24,24-tetramethyl-8-oxa-4,15-diazahexacyclo[14.9.1.02,14.04,13.06,11.020,26]hexacosa-1,6(11),12,14,16,18,20(26)-heptaene-5,9-dione;methanol;tungsten?
The InChIKey is AYICPHWXXOLXGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27FN2O4.C2H6.CH4O.W/c1-12-5-6-27(3,4)9-15-16-10-30-20(7-14-17(25(30)32)11-34-26(33)24(14)31)23(16)29-19-8-18(28)13(2)21(12)22(15)19;2*1-2;/h7-8,12,24,31H,5-6,9-11H2,1-4H3;1-2H3;2H,1H3;.
What are the key properties of ethane;18-fluoro-10-hydroxy-19,21,24,24-tetramethyl-8-oxa-4,15-diazahexacyclo[14.9.1.02,14.04,13.06,11.020,26]hexacosa-1,6(11),12,14,16,18,20(26)-heptaene-5,9-dione;methanol;tungsten?
ethane;18-fluoro-10-hydroxy-19,21,24,24-tetramethyl-8-oxa-4,15-diazahexacyclo[14.9.1.02,14.04,13.06,11.020,26]hexacosa-1,6(11),12,14,16,18,20(26)-heptaene-5,9-dione;methanol;tungsten has a molecular weight of 708.47 g/mol, XLogP of 5.06, 0 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;18-fluoro-10-hydroxy-19,21,24,24-tetramethyl-8-oxa-4,15-diazahexacyclo[14.9.1.02,14.04,13.06,11.020,26]hexacosa-1,6(11),12,14,16,18,20(26)-heptaene-5,9-dione;methanol;tungsten is sourced from PubChem (CID 168986628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).