About (2S)-2-acetyloxy-3-benzoyloxypropanoic acid;carbon dioxide;bis(7-chloro-6-fluoro-1-(4-methyl-2-propan-2-yl-3-pyridinyl)quinazoline-2,4-dione);6-fluoro-7-methyl-1-(4-methyl-2-propan-2-yl-3-pyridinyl)pyrido[2,3-d]pyrimidine-2,4-dione;methane;bis(2-methyloxolane)
(2S)-2-acetyloxy-3-benzoyloxypropanoic acid;carbon dioxide;bis(7-chloro-6-fluoro-1-(4-methyl-2-propan-2-yl-3-pyridinyl)quinazoline-2,4-dione);6-fluoro-7-methyl-1-(4-methyl-2-propan-2-yl-3-pyridinyl)pyrido[2,3-d]pyrimidine-2,4-dione;methane;bis(2-methyloxolane) (PubChem CID 161436114) has the molecular formula C76H87Cl2F3N10O16
and a molecular weight of 1524.49 g/mol. Its IUPAC name is (2S)-2-acetyloxy-3-benzoyloxypropanoic acid;carbon dioxide;bis(7-chloro-6-fluoro-1-(4-methyl-2-propan-2-yl-3-pyridinyl)quinazoline-2,4-dione);6-fluoro-7-methyl-1-(4-methyl-2-propan-2-yl-3-pyridinyl)pyrido[2,3-d]pyrimidine-2,4-dione;methane;bis(2-methyloxolane).
Analyze (2S)-2-acetyloxy-3-benzoyloxypropanoic acid;carbon dioxide;bis(7-chloro-6-fluoro-1-(4-methyl-2-propan-2-yl-3-pyridinyl)quinazoline-2,4-dione);6-fluoro-7-methyl-1-(4-methyl-2-propan-2-yl-3-pyridinyl)pyrido[2,3-d]pyrimidine-2,4-dione;methane;bis(2-methyloxolane) with MolForge
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Frequently Asked Questions
What is the IUPAC name of (2S)-2-acetyloxy-3-benzoyloxypropanoic acid;carbon dioxide;bis(7-chloro-6-fluoro-1-(4-methyl-2-propan-2-yl-3-pyridinyl)quinazoline-2,4-dione);6-fluoro-7-methyl-1-(4-methyl-2-propan-2-yl-3-pyridinyl)pyrido[2,3-d]pyrimidine-2,4-dione;methane;bis(2-methyloxolane)?
The IUPAC name of (2S)-2-acetyloxy-3-benzoyloxypropanoic acid;carbon dioxide;bis(7-chloro-6-fluoro-1-(4-methyl-2-propan-2-yl-3-pyridinyl)quinazoline-2,4-dione);6-fluoro-7-methyl-1-(4-methyl-2-propan-2-yl-3-pyridinyl)pyrido[2,3-d]pyrimidine-2,4-dione;methane;bis(2-methyloxolane) (CID 161436114) is (2S)-2-acetyloxy-3-benzoyloxypropanoic acid;carbon dioxide;bis(7-chloro-6-fluoro-1-(4-methyl-2-propan-2-yl-3-pyridinyl)quinazoline-2,4-dione);6-fluoro-7-methyl-1-(4-methyl-2-propan-2-yl-3-pyridinyl)pyrido[2,3-d]pyrimidine-2,4-dione;methane;bis(2-methyloxolane).
What is the SMILES notation for (2S)-2-acetyloxy-3-benzoyloxypropanoic acid;carbon dioxide;bis(7-chloro-6-fluoro-1-(4-methyl-2-propan-2-yl-3-pyridinyl)quinazoline-2,4-dione);6-fluoro-7-methyl-1-(4-methyl-2-propan-2-yl-3-pyridinyl)pyrido[2,3-d]pyrimidine-2,4-dione;methane;bis(2-methyloxolane)?
The canonical SMILES for (2S)-2-acetyloxy-3-benzoyloxypropanoic acid;carbon dioxide;bis(7-chloro-6-fluoro-1-(4-methyl-2-propan-2-yl-3-pyridinyl)quinazoline-2,4-dione);6-fluoro-7-methyl-1-(4-methyl-2-propan-2-yl-3-pyridinyl)pyrido[2,3-d]pyrimidine-2,4-dione;methane;bis(2-methyloxolane) is C.C.CC(=O)O[C@@H](COC(=O)c1ccccc1)C(=O)O.CC1CCCO1.CC1CCCO1.Cc1ccnc(C(C)C)c1-n1c(=O)[nH]c(=O)c2cc(F)c(C)nc21.Cc1ccnc(C(C)C)c1-n1c(=O)[nH]c(=O)c2cc(F)c(Cl)cc21.Cc1ccnc(C(C)C)c1-n1c(=O)[nH]c(=O)c2cc(F)c(Cl)cc21.O=C=O.
What is the InChIKey of (2S)-2-acetyloxy-3-benzoyloxypropanoic acid;carbon dioxide;bis(7-chloro-6-fluoro-1-(4-methyl-2-propan-2-yl-3-pyridinyl)quinazoline-2,4-dione);6-fluoro-7-methyl-1-(4-methyl-2-propan-2-yl-3-pyridinyl)pyrido[2,3-d]pyrimidine-2,4-dione;methane;bis(2-methyloxolane)?
The InChIKey is VYQZTQRLIBNDNX-UTUFUBMTSA-N. The full InChI is InChI=1S/2C17H15ClFN3O2.C17H17FN4O2.C12H12O6.2C5H10O.CO2.2CH4/c2*1-8(2)14-15(9(3)4-5-20-14)22-13-7-11(18)12(19)6-10(13)16(23)21-17(22)24;1-8(2)13-14(9(3)5-6-19-13)22-15-11(16(23)21-17(22)24)7-12(18)10(4)20-15;1-8(13)18-10(11(14)15)7-17-12(16)9-5-3-2-4-6-9;2*1-5-3-2-4-6-5;2-1-3;;/h2*4-8H,1-3H3,(H,21,23,24);5-8H,1-4H3,(H,21,23,24);2-6,10H,7H2,1H3,(H,14,15);2*5H,2-4H2,1H3;;2*1H4/t;;;10-;;;;;/m...0...../s1.
What are the key properties of (2S)-2-acetyloxy-3-benzoyloxypropanoic acid;carbon dioxide;bis(7-chloro-6-fluoro-1-(4-methyl-2-propan-2-yl-3-pyridinyl)quinazoline-2,4-dione);6-fluoro-7-methyl-1-(4-methyl-2-propan-2-yl-3-pyridinyl)pyrido[2,3-d]pyrimidine-2,4-dione;methane;bis(2-methyloxolane)?
(2S)-2-acetyloxy-3-benzoyloxypropanoic acid;carbon dioxide;bis(7-chloro-6-fluoro-1-(4-methyl-2-propan-2-yl-3-pyridinyl)quinazoline-2,4-dione);6-fluoro-7-methyl-1-(4-methyl-2-propan-2-yl-3-pyridinyl)pyrido[2,3-d]pyrimidine-2,4-dione;methane;bis(2-methyloxolane) has a molecular weight of 1524.49 g/mol, XLogP of 12.86, 11 rotatable bonds, 4 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-acetyloxy-3-benzoyloxypropanoic acid;carbon dioxide;bis(7-chloro-6-fluoro-1-(4-methyl-2-propan-2-yl-3-pyridinyl)quinazoline-2,4-dione);6-fluoro-7-methyl-1-(4-methyl-2-propan-2-yl-3-pyridinyl)pyrido[2,3-d]pyrimidine-2,4-dione;methane;bis(2-methyloxolane) is sourced from PubChem (CID 161436114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).