About N-[5-acetyl-7-[(2R,3S,5R)-3,4-dihydroxy-5-(methoxymethyl)oxolan-2-yl]pyrrolo[2,3-d]pyrimidin-4-yl]-4,4-dimethyl-2-(2-methylpropyl)pentanamide;N-[5-acetyl-7-[(2R,3S,5R)-3,4-dihydroxy-5-(methoxymethyl)oxolan-2-yl]pyrrolo[2,3-d]pyrimidin-4-yl]-2,2,4-trimethylpentanamide;N-[7-[(2R,3S,5R)-3,4-dihydroxy-5-(methoxymethyl)oxolan-2-yl]-5-methylpyrrolo[2,3-d]pyrimidin-4-yl]-4,4-dimethyl-2-(2-methylpropyl)pentanamide;N-[7-[(2R,3S,5R)-3,4-dihydroxy-5-(methoxymethyl)oxolan-2-yl]-5-methylpyrrolo[2,3-d]pyrimidin-4-yl]-2,2,4-trimethylpentanamide;methane
N-[5-acetyl-7-[(2R,3S,5R)-3,4-dihydroxy-5-(methoxymethyl)oxolan-2-yl]pyrrolo[2,3-d]pyrimidin-4-yl]-4,4-dimethyl-2-(2-methylpropyl)pentanamide;N-[5-acetyl-7-[(2R,3S,5R)-3,4-dihydroxy-5-(methoxymethyl)oxolan-2-yl]pyrrolo[2,3-d]pyrimidin-4-yl]-2,2,4-trimethylpentanamide;N-[7-[(2R,3S,5R)-3,4-dihydroxy-5-(methoxymethyl)oxolan-2-yl]-5-methylpyrrolo[2,3-d]pyrimidin-4-yl]-4,4-dimethyl-2-(2-methylpropyl)pentanamide;N-[7-[(2R,3S,5R)-3,4-dihydroxy-5-(methoxymethyl)oxolan-2-yl]-5-methylpyrrolo[2,3-d]pyrimidin-4-yl]-2,2,4-trimethylpentanamide;methane (PubChem CID 159234601) has the molecular formula C93H144N16O22
and a molecular weight of 1838.26 g/mol. Its IUPAC name is N-[5-acetyl-7-[(2R,3S,5R)-3,4-dihydroxy-5-(methoxymethyl)oxolan-2-yl]pyrrolo[2,3-d]pyrimidin-4-yl]-4,4-dimethyl-2-(2-methylpropyl)pentanamide;N-[5-acetyl-7-[(2R,3S,5R)-3,4-dihydroxy-5-(methoxymethyl)oxolan-2-yl]pyrrolo[2,3-d]pyrimidin-4-yl]-2,2,4-trimethylpentanamide;N-[7-[(2R,3S,5R)-3,4-dihydroxy-5-(methoxymethyl)oxolan-2-yl]-5-methylpyrrolo[2,3-d]pyrimidin-4-yl]-4,4-dimethyl-2-(2-methylpropyl)pentanamide;N-[7-[(2R,3S,5R)-3,4-dihydroxy-5-(methoxymethyl)oxolan-2-yl]-5-methylpyrrolo[2,3-d]pyrimidin-4-yl]-2,2,4-trimethylpentanamide;methane.
Frequently Asked Questions
What is the IUPAC name of N-[5-acetyl-7-[(2R,3S,5R)-3,4-dihydroxy-5-(methoxymethyl)oxolan-2-yl]pyrrolo[2,3-d]pyrimidin-4-yl]-4,4-dimethyl-2-(2-methylpropyl)pentanamide;N-[5-acetyl-7-[(2R,3S,5R)-3,4-dihydroxy-5-(methoxymethyl)oxolan-2-yl]pyrrolo[2,3-d]pyrimidin-4-yl]-2,2,4-trimethylpentanamide;N-[7-[(2R,3S,5R)-3,4-dihydroxy-5-(methoxymethyl)oxolan-2-yl]-5-methylpyrrolo[2,3-d]pyrimidin-4-yl]-4,4-dimethyl-2-(2-methylpropyl)pentanamide;N-[7-[(2R,3S,5R)-3,4-dihydroxy-5-(methoxymethyl)oxolan-2-yl]-5-methylpyrrolo[2,3-d]pyrimidin-4-yl]-2,2,4-trimethylpentanamide;methane?
The IUPAC name of N-[5-acetyl-7-[(2R,3S,5R)-3,4-dihydroxy-5-(methoxymethyl)oxolan-2-yl]pyrrolo[2,3-d]pyrimidin-4-yl]-4,4-dimethyl-2-(2-methylpropyl)pentanamide;N-[5-acetyl-7-[(2R,3S,5R)-3,4-dihydroxy-5-(methoxymethyl)oxolan-2-yl]pyrrolo[2,3-d]pyrimidin-4-yl]-2,2,4-trimethylpentanamide;N-[7-[(2R,3S,5R)-3,4-dihydroxy-5-(methoxymethyl)oxolan-2-yl]-5-methylpyrrolo[2,3-d]pyrimidin-4-yl]-4,4-dimethyl-2-(2-methylpropyl)pentanamide;N-[7-[(2R,3S,5R)-3,4-dihydroxy-5-(methoxymethyl)oxolan-2-yl]-5-methylpyrrolo[2,3-d]pyrimidin-4-yl]-2,2,4-trimethylpentanamide;methane (CID 159234601) is N-[5-acetyl-7-[(2R,3S,5R)-3,4-dihydroxy-5-(methoxymethyl)oxolan-2-yl]pyrrolo[2,3-d]pyrimidin-4-yl]-4,4-dimethyl-2-(2-methylpropyl)pentanamide;N-[5-acetyl-7-[(2R,3S,5R)-3,4-dihydroxy-5-(methoxymethyl)oxolan-2-yl]pyrrolo[2,3-d]pyrimidin-4-yl]-2,2,4-trimethylpentanamide;N-[7-[(2R,3S,5R)-3,4-dihydroxy-5-(methoxymethyl)oxolan-2-yl]-5-methylpyrrolo[2,3-d]pyrimidin-4-yl]-4,4-dimethyl-2-(2-methylpropyl)pentanamide;N-[7-[(2R,3S,5R)-3,4-dihydroxy-5-(methoxymethyl)oxolan-2-yl]-5-methylpyrrolo[2,3-d]pyrimidin-4-yl]-2,2,4-trimethylpentanamide;methane.
What is the SMILES notation for N-[5-acetyl-7-[(2R,3S,5R)-3,4-dihydroxy-5-(methoxymethyl)oxolan-2-yl]pyrrolo[2,3-d]pyrimidin-4-yl]-4,4-dimethyl-2-(2-methylpropyl)pentanamide;N-[5-acetyl-7-[(2R,3S,5R)-3,4-dihydroxy-5-(methoxymethyl)oxolan-2-yl]pyrrolo[2,3-d]pyrimidin-4-yl]-2,2,4-trimethylpentanamide;N-[7-[(2R,3S,5R)-3,4-dihydroxy-5-(methoxymethyl)oxolan-2-yl]-5-methylpyrrolo[2,3-d]pyrimidin-4-yl]-4,4-dimethyl-2-(2-methylpropyl)pentanamide;N-[7-[(2R,3S,5R)-3,4-dihydroxy-5-(methoxymethyl)oxolan-2-yl]-5-methylpyrrolo[2,3-d]pyrimidin-4-yl]-2,2,4-trimethylpentanamide;methane?
The canonical SMILES for N-[5-acetyl-7-[(2R,3S,5R)-3,4-dihydroxy-5-(methoxymethyl)oxolan-2-yl]pyrrolo[2,3-d]pyrimidin-4-yl]-4,4-dimethyl-2-(2-methylpropyl)pentanamide;N-[5-acetyl-7-[(2R,3S,5R)-3,4-dihydroxy-5-(methoxymethyl)oxolan-2-yl]pyrrolo[2,3-d]pyrimidin-4-yl]-2,2,4-trimethylpentanamide;N-[7-[(2R,3S,5R)-3,4-dihydroxy-5-(methoxymethyl)oxolan-2-yl]-5-methylpyrrolo[2,3-d]pyrimidin-4-yl]-4,4-dimethyl-2-(2-methylpropyl)pentanamide;N-[7-[(2R,3S,5R)-3,4-dihydroxy-5-(methoxymethyl)oxolan-2-yl]-5-methylpyrrolo[2,3-d]pyrimidin-4-yl]-2,2,4-trimethylpentanamide;methane is C.COC[C@H]1O[C@@H](n2cc(C(C)=O)c3c(NC(=O)C(C)(C)CC(C)C)ncnc32)[C@@H](O)C1O.COC[C@H]1O[C@@H](n2cc(C(C)=O)c3c(NC(=O)C(CC(C)C)CC(C)(C)C)ncnc32)[C@@H](O)C1O.COC[C@H]1O[C@@H](n2cc(C)c3c(NC(=O)C(C)(C)CC(C)C)ncnc32)[C@@H](O)C1O.COC[C@H]1O[C@@H](n2cc(C)c3c(NC(=O)C(CC(C)C)CC(C)(C)C)ncnc32)[C@@H](O)C1O.
What is the InChIKey of N-[5-acetyl-7-[(2R,3S,5R)-3,4-dihydroxy-5-(methoxymethyl)oxolan-2-yl]pyrrolo[2,3-d]pyrimidin-4-yl]-4,4-dimethyl-2-(2-methylpropyl)pentanamide;N-[5-acetyl-7-[(2R,3S,5R)-3,4-dihydroxy-5-(methoxymethyl)oxolan-2-yl]pyrrolo[2,3-d]pyrimidin-4-yl]-2,2,4-trimethylpentanamide;N-[7-[(2R,3S,5R)-3,4-dihydroxy-5-(methoxymethyl)oxolan-2-yl]-5-methylpyrrolo[2,3-d]pyrimidin-4-yl]-4,4-dimethyl-2-(2-methylpropyl)pentanamide;N-[7-[(2R,3S,5R)-3,4-dihydroxy-5-(methoxymethyl)oxolan-2-yl]-5-methylpyrrolo[2,3-d]pyrimidin-4-yl]-2,2,4-trimethylpentanamide;methane?
The InChIKey is KTHWNIMVBRRYCX-AULLEIJISA-N. The full InChI is InChI=1S/C25H38N4O6.C24H38N4O5.C22H32N4O6.C21H32N4O5.CH4/c1-13(2)8-15(9-25(4,5)6)23(33)28-21-18-16(14(3)30)10-29(22(18)27-12-26-21)24-20(32)19(31)17(35-24)11-34-7;1-13(2)8-15(9-24(4,5)6)22(31)27-20-17-14(3)10-28(21(17)26-12-25-20)23-19(30)18(29)16(33-23)11-32-7;1-11(2)7-22(4,5)21(30)25-18-15-13(12(3)27)8-26(19(15)24-10-23-18)20-17(29)16(28)14(32-20)9-31-6;1-11(2)7-21(4,5)20(28)24-17-14-12(3)8-25(18(14)23-10-22-17)19-16(27)15(26)13(30-19)9-29-6;/h10,12-13,15,17,19-20,24,31-32H,8-9,11H2,1-7H3,(H,26,27,28,33);10,12-13,15-16,18-19,23,29-30H,8-9,11H2,1-7H3,(H,25,26,27,31);8,10-11,14,16-17,20,28-29H,7,9H2,1-6H3,(H,23,24,25,30);8,10-11,13,15-16,19,26-27H,7,9H2,1-6H3,(H,22,23,24,28);1H4/t15?,17-,19?,20+,24-;15?,16-,18?,19+,23-;14-,16?,17+,20-;13-,15?,16+,19-;/m1111./s1.
What are the key properties of N-[5-acetyl-7-[(2R,3S,5R)-3,4-dihydroxy-5-(methoxymethyl)oxolan-2-yl]pyrrolo[2,3-d]pyrimidin-4-yl]-4,4-dimethyl-2-(2-methylpropyl)pentanamide;N-[5-acetyl-7-[(2R,3S,5R)-3,4-dihydroxy-5-(methoxymethyl)oxolan-2-yl]pyrrolo[2,3-d]pyrimidin-4-yl]-2,2,4-trimethylpentanamide;N-[7-[(2R,3S,5R)-3,4-dihydroxy-5-(methoxymethyl)oxolan-2-yl]-5-methylpyrrolo[2,3-d]pyrimidin-4-yl]-4,4-dimethyl-2-(2-methylpropyl)pentanamide;N-[7-[(2R,3S,5R)-3,4-dihydroxy-5-(methoxymethyl)oxolan-2-yl]-5-methylpyrrolo[2,3-d]pyrimidin-4-yl]-2,2,4-trimethylpentanamide;methane?
N-[5-acetyl-7-[(2R,3S,5R)-3,4-dihydroxy-5-(methoxymethyl)oxolan-2-yl]pyrrolo[2,3-d]pyrimidin-4-yl]-4,4-dimethyl-2-(2-methylpropyl)pentanamide;N-[5-acetyl-7-[(2R,3S,5R)-3,4-dihydroxy-5-(methoxymethyl)oxolan-2-yl]pyrrolo[2,3-d]pyrimidin-4-yl]-2,2,4-trimethylpentanamide;N-[7-[(2R,3S,5R)-3,4-dihydroxy-5-(methoxymethyl)oxolan-2-yl]-5-methylpyrrolo[2,3-d]pyrimidin-4-yl]-4,4-dimethyl-2-(2-methylpropyl)pentanamide;N-[7-[(2R,3S,5R)-3,4-dihydroxy-5-(methoxymethyl)oxolan-2-yl]-5-methylpyrrolo[2,3-d]pyrimidin-4-yl]-2,2,4-trimethylpentanamide;methane has a molecular weight of 1838.26 g/mol, XLogP of 10.54, 32 rotatable bonds, 12 hydrogen bond donors, and 34 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-acetyl-7-[(2R,3S,5R)-3,4-dihydroxy-5-(methoxymethyl)oxolan-2-yl]pyrrolo[2,3-d]pyrimidin-4-yl]-4,4-dimethyl-2-(2-methylpropyl)pentanamide;N-[5-acetyl-7-[(2R,3S,5R)-3,4-dihydroxy-5-(methoxymethyl)oxolan-2-yl]pyrrolo[2,3-d]pyrimidin-4-yl]-2,2,4-trimethylpentanamide;N-[7-[(2R,3S,5R)-3,4-dihydroxy-5-(methoxymethyl)oxolan-2-yl]-5-methylpyrrolo[2,3-d]pyrimidin-4-yl]-4,4-dimethyl-2-(2-methylpropyl)pentanamide;N-[7-[(2R,3S,5R)-3,4-dihydroxy-5-(methoxymethyl)oxolan-2-yl]-5-methylpyrrolo[2,3-d]pyrimidin-4-yl]-2,2,4-trimethylpentanamide;methane is sourced from PubChem (CID 159234601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).