About sodium;(4aS,8aS)-4a,5,6,7,8,8a-hexahydro-1H-pyrido[3,4-b][1,4]oxazin-2-one;(4aS,8aS)-6-[3-(2-aminopyrimidin-4-yl)-1-(benzenesulfonyl)pyrrolo[2,3-b]pyridin-4-yl]-1,4a,5,7,8,8a-hexahydropyrido[3,4-b][1,4]oxazin-2-one;(4aS,8aS)-6-[3-(2-aminopyrimidin-4-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]-1,4a,5,7,8,8a-hexahydropyrido[3,4-b][1,4]oxazin-2-one;4-[1-(benzenesulfonyl)-4-chloropyrrolo[2,3-b]pyridin-3-yl]pyrimidin-2-amine;benzyl (4aS,8aS)-2-oxo-1,4a,5,7,8,8a-hexahydropyrido[3,4-b][1,4]oxazine-6-carboxylate;benzyl (3S,4S)-4-amino-3-hydroxypiperidine-1-carboxylate;benzyl (3S,4S)-4-[(2-chloroacetyl)amino]-3-hydroxypiperidine-1-carboxylate;2-chloroacetyl chloride;hydride;molecular hydrogen;oxolane
sodium;(4aS,8aS)-4a,5,6,7,8,8a-hexahydro-1H-pyrido[3,4-b][1,4]oxazin-2-one;(4aS,8aS)-6-[3-(2-aminopyrimidin-4-yl)-1-(benzenesulfonyl)pyrrolo[2,3-b]pyridin-4-yl]-1,4a,5,7,8,8a-hexahydropyrido[3,4-b][1,4]oxazin-2-one;(4aS,8aS)-6-[3-(2-aminopyrimidin-4-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]-1,4a,5,7,8,8a-hexahydropyrido[3,4-b][1,4]oxazin-2-one;4-[1-(benzenesulfonyl)-4-chloropyrrolo[2,3-b]pyridin-3-yl]pyrimidin-2-amine;benzyl (4aS,8aS)-2-oxo-1,4a,5,7,8,8a-hexahydropyrido[3,4-b][1,4]oxazine-6-carboxylate;benzyl (3S,4S)-4-amino-3-hydroxypiperidine-1-carboxylate;benzyl (3S,4S)-4-[(2-chloroacetyl)amino]-3-hydroxypiperidine-1-carboxylate;2-chloroacetyl chloride;hydride;molecular hydrogen;oxolane (PubChem CID 161249582) has the molecular formula C115H134Cl4N27NaO23S2
and a molecular weight of 2491.44 g/mol. Its IUPAC name is sodium;(4aS,8aS)-4a,5,6,7,8,8a-hexahydro-1H-pyrido[3,4-b][1,4]oxazin-2-one;(4aS,8aS)-6-[3-(2-aminopyrimidin-4-yl)-1-(benzenesulfonyl)pyrrolo[2,3-b]pyridin-4-yl]-1,4a,5,7,8,8a-hexahydropyrido[3,4-b][1,4]oxazin-2-one;(4aS,8aS)-6-[3-(2-aminopyrimidin-4-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]-1,4a,5,7,8,8a-hexahydropyrido[3,4-b][1,4]oxazin-2-one;4-[1-(benzenesulfonyl)-4-chloropyrrolo[2,3-b]pyridin-3-yl]pyrimidin-2-amine;benzyl (4aS,8aS)-2-oxo-1,4a,5,7,8,8a-hexahydropyrido[3,4-b][1,4]oxazine-6-carboxylate;benzyl (3S,4S)-4-amino-3-hydroxypiperidine-1-carboxylate;benzyl (3S,4S)-4-[(2-chloroacetyl)amino]-3-hydroxypiperidine-1-carboxylate;2-chloroacetyl chloride;hydride;molecular hydrogen;oxolane.
Frequently Asked Questions
What is the IUPAC name of sodium;(4aS,8aS)-4a,5,6,7,8,8a-hexahydro-1H-pyrido[3,4-b][1,4]oxazin-2-one;(4aS,8aS)-6-[3-(2-aminopyrimidin-4-yl)-1-(benzenesulfonyl)pyrrolo[2,3-b]pyridin-4-yl]-1,4a,5,7,8,8a-hexahydropyrido[3,4-b][1,4]oxazin-2-one;(4aS,8aS)-6-[3-(2-aminopyrimidin-4-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]-1,4a,5,7,8,8a-hexahydropyrido[3,4-b][1,4]oxazin-2-one;4-[1-(benzenesulfonyl)-4-chloropyrrolo[2,3-b]pyridin-3-yl]pyrimidin-2-amine;benzyl (4aS,8aS)-2-oxo-1,4a,5,7,8,8a-hexahydropyrido[3,4-b][1,4]oxazine-6-carboxylate;benzyl (3S,4S)-4-amino-3-hydroxypiperidine-1-carboxylate;benzyl (3S,4S)-4-[(2-chloroacetyl)amino]-3-hydroxypiperidine-1-carboxylate;2-chloroacetyl chloride;hydride;molecular hydrogen;oxolane?
The IUPAC name of sodium;(4aS,8aS)-4a,5,6,7,8,8a-hexahydro-1H-pyrido[3,4-b][1,4]oxazin-2-one;(4aS,8aS)-6-[3-(2-aminopyrimidin-4-yl)-1-(benzenesulfonyl)pyrrolo[2,3-b]pyridin-4-yl]-1,4a,5,7,8,8a-hexahydropyrido[3,4-b][1,4]oxazin-2-one;(4aS,8aS)-6-[3-(2-aminopyrimidin-4-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]-1,4a,5,7,8,8a-hexahydropyrido[3,4-b][1,4]oxazin-2-one;4-[1-(benzenesulfonyl)-4-chloropyrrolo[2,3-b]pyridin-3-yl]pyrimidin-2-amine;benzyl (4aS,8aS)-2-oxo-1,4a,5,7,8,8a-hexahydropyrido[3,4-b][1,4]oxazine-6-carboxylate;benzyl (3S,4S)-4-amino-3-hydroxypiperidine-1-carboxylate;benzyl (3S,4S)-4-[(2-chloroacetyl)amino]-3-hydroxypiperidine-1-carboxylate;2-chloroacetyl chloride;hydride;molecular hydrogen;oxolane (CID 161249582) is sodium;(4aS,8aS)-4a,5,6,7,8,8a-hexahydro-1H-pyrido[3,4-b][1,4]oxazin-2-one;(4aS,8aS)-6-[3-(2-aminopyrimidin-4-yl)-1-(benzenesulfonyl)pyrrolo[2,3-b]pyridin-4-yl]-1,4a,5,7,8,8a-hexahydropyrido[3,4-b][1,4]oxazin-2-one;(4aS,8aS)-6-[3-(2-aminopyrimidin-4-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]-1,4a,5,7,8,8a-hexahydropyrido[3,4-b][1,4]oxazin-2-one;4-[1-(benzenesulfonyl)-4-chloropyrrolo[2,3-b]pyridin-3-yl]pyrimidin-2-amine;benzyl (4aS,8aS)-2-oxo-1,4a,5,7,8,8a-hexahydropyrido[3,4-b][1,4]oxazine-6-carboxylate;benzyl (3S,4S)-4-amino-3-hydroxypiperidine-1-carboxylate;benzyl (3S,4S)-4-[(2-chloroacetyl)amino]-3-hydroxypiperidine-1-carboxylate;2-chloroacetyl chloride;hydride;molecular hydrogen;oxolane.
What is the SMILES notation for sodium;(4aS,8aS)-4a,5,6,7,8,8a-hexahydro-1H-pyrido[3,4-b][1,4]oxazin-2-one;(4aS,8aS)-6-[3-(2-aminopyrimidin-4-yl)-1-(benzenesulfonyl)pyrrolo[2,3-b]pyridin-4-yl]-1,4a,5,7,8,8a-hexahydropyrido[3,4-b][1,4]oxazin-2-one;(4aS,8aS)-6-[3-(2-aminopyrimidin-4-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]-1,4a,5,7,8,8a-hexahydropyrido[3,4-b][1,4]oxazin-2-one;4-[1-(benzenesulfonyl)-4-chloropyrrolo[2,3-b]pyridin-3-yl]pyrimidin-2-amine;benzyl (4aS,8aS)-2-oxo-1,4a,5,7,8,8a-hexahydropyrido[3,4-b][1,4]oxazine-6-carboxylate;benzyl (3S,4S)-4-amino-3-hydroxypiperidine-1-carboxylate;benzyl (3S,4S)-4-[(2-chloroacetyl)amino]-3-hydroxypiperidine-1-carboxylate;2-chloroacetyl chloride;hydride;molecular hydrogen;oxolane?
The canonical SMILES for sodium;(4aS,8aS)-4a,5,6,7,8,8a-hexahydro-1H-pyrido[3,4-b][1,4]oxazin-2-one;(4aS,8aS)-6-[3-(2-aminopyrimidin-4-yl)-1-(benzenesulfonyl)pyrrolo[2,3-b]pyridin-4-yl]-1,4a,5,7,8,8a-hexahydropyrido[3,4-b][1,4]oxazin-2-one;(4aS,8aS)-6-[3-(2-aminopyrimidin-4-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]-1,4a,5,7,8,8a-hexahydropyrido[3,4-b][1,4]oxazin-2-one;4-[1-(benzenesulfonyl)-4-chloropyrrolo[2,3-b]pyridin-3-yl]pyrimidin-2-amine;benzyl (4aS,8aS)-2-oxo-1,4a,5,7,8,8a-hexahydropyrido[3,4-b][1,4]oxazine-6-carboxylate;benzyl (3S,4S)-4-amino-3-hydroxypiperidine-1-carboxylate;benzyl (3S,4S)-4-[(2-chloroacetyl)amino]-3-hydroxypiperidine-1-carboxylate;2-chloroacetyl chloride;hydride;molecular hydrogen;oxolane is C1CCOC1.N[C@H]1CCN(C(=O)OCc2ccccc2)C[C@@H]1O.Nc1nccc(-c2c[nH]c3nccc(N4CC[C@@H]5NC(=O)CO[C@H]5C4)c23)n1.Nc1nccc(-c2cn(S(=O)(=O)c3ccccc3)c3nccc(Cl)c23)n1.Nc1nccc(-c2cn(S(=O)(=O)c3ccccc3)c3nccc(N4CC[C@@H]5NC(=O)CO[C@H]5C4)c23)n1.O=C(CCl)N[C@H]1CCN(C(=O)OCc2ccccc2)C[C@@H]1O.O=C(Cl)CCl.O=C1CO[C@H]2CN(C(=O)OCc3ccccc3)CC[C@@H]2N1.O=C1CO[C@H]2CNCC[C@@H]2N1.[H-].[H][H].[Na+].
What is the InChIKey of sodium;(4aS,8aS)-4a,5,6,7,8,8a-hexahydro-1H-pyrido[3,4-b][1,4]oxazin-2-one;(4aS,8aS)-6-[3-(2-aminopyrimidin-4-yl)-1-(benzenesulfonyl)pyrrolo[2,3-b]pyridin-4-yl]-1,4a,5,7,8,8a-hexahydropyrido[3,4-b][1,4]oxazin-2-one;(4aS,8aS)-6-[3-(2-aminopyrimidin-4-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]-1,4a,5,7,8,8a-hexahydropyrido[3,4-b][1,4]oxazin-2-one;4-[1-(benzenesulfonyl)-4-chloropyrrolo[2,3-b]pyridin-3-yl]pyrimidin-2-amine;benzyl (4aS,8aS)-2-oxo-1,4a,5,7,8,8a-hexahydropyrido[3,4-b][1,4]oxazine-6-carboxylate;benzyl (3S,4S)-4-amino-3-hydroxypiperidine-1-carboxylate;benzyl (3S,4S)-4-[(2-chloroacetyl)amino]-3-hydroxypiperidine-1-carboxylate;2-chloroacetyl chloride;hydride;molecular hydrogen;oxolane?
The InChIKey is LRRSLKRBBFUGHW-BNSAEEIRSA-N. The full InChI is InChI=1S/C24H23N7O4S.C18H19N7O2.C17H12ClN5O2S.C15H19ClN2O4.C15H18N2O4.C13H18N2O3.C7H12N2O2.C4H8O.C2H2Cl2O.Na.H2.H/c25-24-27-9-6-17(29-24)16-12-31(36(33,34)15-4-2-1-3-5-15)23-22(16)19(7-10-26-23)30-11-8-18-20(13-30)35-14-21(32)28-18;19-18-21-4-1-11(24-18)10-7-22-17-16(10)13(2-5-20-17)25-6-3-12-14(8-25)27-9-15(26)23-12;18-13-6-8-20-16-15(13)12(14-7-9-21-17(19)22-14)10-23(16)26(24,25)11-4-2-1-3-5-11;16-8-14(20)17-12-6-7-18(9-13(12)19)15(21)22-10-11-4-2-1-3-5-11;18-14-10-20-13-8-17(7-6-12(13)16-14)15(19)21-9-11-4-2-1-3-5-11;14-11-6-7-15(8-12(11)16)13(17)18-9-10-4-2-1-3-5-10;10-7-4-11-6-3-8-2-1-5(6)9-7;1-2-4-5-3-1;3-1-2(4)5;;;/h1-7,9-10,12,18,20H,8,11,13-14H2,(H,28,32)(H2,25,27,29);1-2,4-5,7,12,14H,3,6,8-9H2,(H,20,22)(H,23,26)(H2,19,21,24);1-10H,(H2,19,21,22);1-5,12-13,19H,6-10H2,(H,17,20);1-5,12-13H,6-10H2,(H,16,18);1-5,11-12,16H,6-9,14H2;5-6,8H,1-4H2,(H,9,10);1-4H2;1H2;;1H;/q;;;;;;;;;+1;;-1/t18-,20-;12-,14-;;2*12-,13-;11-,12-;5-,6-;;;;;/m00.0000...../s1.
What are the key properties of sodium;(4aS,8aS)-4a,5,6,7,8,8a-hexahydro-1H-pyrido[3,4-b][1,4]oxazin-2-one;(4aS,8aS)-6-[3-(2-aminopyrimidin-4-yl)-1-(benzenesulfonyl)pyrrolo[2,3-b]pyridin-4-yl]-1,4a,5,7,8,8a-hexahydropyrido[3,4-b][1,4]oxazin-2-one;(4aS,8aS)-6-[3-(2-aminopyrimidin-4-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]-1,4a,5,7,8,8a-hexahydropyrido[3,4-b][1,4]oxazin-2-one;4-[1-(benzenesulfonyl)-4-chloropyrrolo[2,3-b]pyridin-3-yl]pyrimidin-2-amine;benzyl (4aS,8aS)-2-oxo-1,4a,5,7,8,8a-hexahydropyrido[3,4-b][1,4]oxazine-6-carboxylate;benzyl (3S,4S)-4-amino-3-hydroxypiperidine-1-carboxylate;benzyl (3S,4S)-4-[(2-chloroacetyl)amino]-3-hydroxypiperidine-1-carboxylate;2-chloroacetyl chloride;hydride;molecular hydrogen;oxolane?
sodium;(4aS,8aS)-4a,5,6,7,8,8a-hexahydro-1H-pyrido[3,4-b][1,4]oxazin-2-one;(4aS,8aS)-6-[3-(2-aminopyrimidin-4-yl)-1-(benzenesulfonyl)pyrrolo[2,3-b]pyridin-4-yl]-1,4a,5,7,8,8a-hexahydropyrido[3,4-b][1,4]oxazin-2-one;(4aS,8aS)-6-[3-(2-aminopyrimidin-4-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]-1,4a,5,7,8,8a-hexahydropyrido[3,4-b][1,4]oxazin-2-one;4-[1-(benzenesulfonyl)-4-chloropyrrolo[2,3-b]pyridin-3-yl]pyrimidin-2-amine;benzyl (4aS,8aS)-2-oxo-1,4a,5,7,8,8a-hexahydropyrido[3,4-b][1,4]oxazine-6-carboxylate;benzyl (3S,4S)-4-amino-3-hydroxypiperidine-1-carboxylate;benzyl (3S,4S)-4-[(2-chloroacetyl)amino]-3-hydroxypiperidine-1-carboxylate;2-chloroacetyl chloride;hydride;molecular hydrogen;oxolane has a molecular weight of 2491.44 g/mol, XLogP of 5.82, 18 rotatable bonds, 13 hydrogen bond donors, and 41 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;(4aS,8aS)-4a,5,6,7,8,8a-hexahydro-1H-pyrido[3,4-b][1,4]oxazin-2-one;(4aS,8aS)-6-[3-(2-aminopyrimidin-4-yl)-1-(benzenesulfonyl)pyrrolo[2,3-b]pyridin-4-yl]-1,4a,5,7,8,8a-hexahydropyrido[3,4-b][1,4]oxazin-2-one;(4aS,8aS)-6-[3-(2-aminopyrimidin-4-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]-1,4a,5,7,8,8a-hexahydropyrido[3,4-b][1,4]oxazin-2-one;4-[1-(benzenesulfonyl)-4-chloropyrrolo[2,3-b]pyridin-3-yl]pyrimidin-2-amine;benzyl (4aS,8aS)-2-oxo-1,4a,5,7,8,8a-hexahydropyrido[3,4-b][1,4]oxazine-6-carboxylate;benzyl (3S,4S)-4-amino-3-hydroxypiperidine-1-carboxylate;benzyl (3S,4S)-4-[(2-chloroacetyl)amino]-3-hydroxypiperidine-1-carboxylate;2-chloroacetyl chloride;hydride;molecular hydrogen;oxolane is sourced from PubChem (CID 161249582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).