1-[(3aR,4R,6aR)-6,6-bis(hydroxymethyl)-2,2,3a-trimethyl-4,6a-dihydrofuro[3,4-d][1,3]dioxol-4-yl]pyridine-2,4-dione;1-[(3aR,4R,6S,6aR)-6-(2-chloroethenyl)-6-ethyl-2,2,3a-trimethyl-4,6a-dihydrofuro[3,4-d][1,3]dioxol-4-yl]pyridine-2,4-dione;1-[(3aR,4R,6aR)-6,6-diethyl-2,2,3a-trimethyl-4,6a-dihydrofuro[3,4-d][1,3]dioxol-4-yl]pyridine-2,4-dione;(3aR,4R,6S,6aR)-4-(2,4-dioxo-1-pyridinyl)-2,2,3a-trimethyl-6,6a-dihydro-4H-furo[3,4-d][1,3]dioxole-6-carbaldehyde;(3aR,4R,6R,6aS)-4-(2,4-dioxo-1-pyridinyl)-6-ethyl-2,2,3a-trimethyl-4,6a-dihydrofuro[3,4-d][1,3]dioxole-6-carbaldehyde;1-[(3aR,4R,6S,6aR)-6-ethyl-6-ethynyl-2,2,3a-trimethyl-4,6a-dihydrofuro[3,4-d][1,3]dioxol-4-yl]-4-aminopyrimidin-2-one;1-[(3aR,4R,6S,6aR)-6-ethyl-6-ethynyl-2,2,3a-trimethyl-4,6a-dihydrofuro[3,4-d][1,3]dioxol-4-yl]pyridine-2,4-dione;1-[(3aR,4R,6R,6aR)-6-ethyl-6-(hydroxymethyl)-2,2,3a-trimethyl-4,6a-dihydrofuro[3,4-d][1,3]dioxol-4-yl]pyridine-2,4-dione;1-[(3aR,4R,6S,6aR)-6-ethyl-6-(hydroxymethyl)-2,2,3a-trimethyl-4,6a-dihydrofuro[3,4-d][1,3]dioxol-4-yl]pyridine-2,4-dione;1-[(3aR,4R,6R,6aR)-6-(hydroxymethyl)-2,2,3a-trimethyl-6,6a-dihydro-4H-furo[3,4-d][1,3]dioxol-4-yl]pyridine-2,4-dione;4-amino-1-[(2R,3R,4S,5R)-5-ethynyl-3,4-dihydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]pyrimidin-2-one;1-[(2R,3R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]pyridine-2,4-dione

C181H243ClN16O67 — CID 159827018

IUPAC1-[(3aR,4R,6aR)-6,6-bis(hydroxymethyl)-2,2,3a-trimethyl-4,6a-dihydrofuro[3,4-d][1,3]dioxol-4-yl]pyridine-2,4-dione;1-[(3aR,4R,6S,6aR)-6-(2-chloroethenyl)-6-ethyl-2,2,3a-trimethyl-4,6a-dihydrofuro[3,4-d][1,3]dioxol-4-yl]pyridine-2,4-dione;1-[(3aR,4R,6aR)-6,6-diethyl-2,2,3a-trimethyl-4,6a-dihydrofuro[3,4-d][1,3]dioxol-4-yl]pyridine-2,4-dione;(3aR,4R,6S,6aR)-4-(2,4-dioxo-1-pyridinyl)-2,2,3a-trimethyl-6,6a-dihydro-4H-furo[3,4-d][1,3]dioxole-6-carbaldehyde;(3aR,4R,6R,6aS)-4-(2,4-dioxo-1-pyridinyl)-6-ethyl-2,2,3a-trimethyl-4,6a-dihydrofuro[3,4-d][1,3]dioxole-6-carbaldehyde;1-[(3aR,4R,6S,6aR)-6-ethyl-6-ethynyl-2,2,3a-trimethyl-4,6a-dihydrofuro[3,4-d][1,3]dioxol-4-yl]-4-aminopyrimidin-2-one;1-[(3aR,4R,6S,6aR)-6-ethyl-6-ethynyl-2,2,3a-trimethyl-4,6a-dihydrofuro[3,4-d][1,3]dioxol-4-yl]pyridine-2,4-dione;1-[(3aR,4R,6R,6aR)-6-ethyl-6-(hydroxymethyl)-2,2,3a-trimethyl-4,6a-dihydrofuro[3,4-d][1,3]dioxol-4-yl]pyridine-2,4-dione;1-[(3aR,4R,6S,6aR)-6-ethyl-6-(hydroxymethyl)-2,2,3a-trimethyl-4,6a-dihydrofuro[3,4-d][1,3]dioxol-4-yl]pyridine-2,4-dione;1-[(3aR,4R,6R,6aR)-6-(hydroxymethyl)-2,2,3a-trimethyl-6,6a-dihydro-4H-furo[3,4-d][1,3]dioxol-4-yl]pyridine-2,4-dione;4-amino-1-[(2R,3R,4S,5R)-5-ethynyl-3,4-dihydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]pyrimidin-2-one;1-[(2R,3R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]pyridine-2,4-dione
SMILESC#C[C@]1(CC)O[C@@H](N2C=CC(=O)CC2=O)[C@]2(C)OC(C)(C)O[C@@H]21.C#C[C@]1(CC)O[C@@H](n2ccc(N)nc2=O)[C@]2(C)OC(C)(C)O[C@@H]21.C#C[C@]1(CO)O[C@@H](n2ccc(N)nc2=O)[C@](C)(O)[C@@H]1O.CC1(C)O[C@@H]2C(CO)(CO)O[C@@H](N3C=CC(=O)CC3=O)[C@]2(C)O1.CC1(C)O[C@@H]2[C@@H](C=O)O[C@@H](N3C=CC(=O)CC3=O)[C@]2(C)O1.CC1(C)O[C@@H]2[C@@H](CO)O[C@@H](N3C=CC(=O)CC3=O)[C@]2(C)O1.CCC1(CC)O[C@@H](N2C=CC(=O)CC2=O)[C@]2(C)OC(C)(C)O[C@H]12.CC[C@@]1(C=CCl)O[C@@H](N2C=CC(=O)CC2=O)[C@]2(C)OC(C)(C)O[C@@H]21.CC[C@@]1(C=O)O[C@@H](N2C=CC(=O)CC2=O)[C@]2(C)OC(C)(C)O[C@@H]21.CC[C@@]1(CO)O[C@@H](N2C=CC(=O)CC2=O)[C@]2(C)OC(C)(C)O[C@H]12.CC[C@]1(CO)O[C@@H](N2C=CC(=O)CC2=O)[C@]2(C)OC(C)(C)O[C@H]12.C[C@@]1(O)[C@H](O)[C@@H](CO)O[C@H]1N1C=CC(=O)CC1=O
InChIInChI=1S/C17H22ClNO5.C17H25NO5.C17H21NO5.C16H21N3O4.2C16H23NO6.C16H21NO6.C15H21NO7.C14H19NO6.C14H17NO6.C12H15N3O5.C11H15NO6/c1-5-17(7-8-18)13-16(4,24-15(2,3)22-13)14(23-17)19-9-6-11(20)10-12(19)21;2*1-6-17(7-2)13-16(5,23-15(3,4)21-13)14(22-17)18-9-8-11(19)10-12(18)20;1-6-16(7-2)11-15(5,23-14(3,4)21-11)12(22-16)19-9-8-10(17)18-13(19)20;3*1-5-16(9-18)12-15(4,23-14(2,3)21-12)13(22-16)17-7-6-10(19)8-11(17)20;1-13(2)21-11-14(3,23-13)12(22-15(11,7-17)8-18)16-5-4-9(19)6-10(16)20;2*1-13(2)20-11-9(7-16)19-12(14(11,3)21-13)15-5-4-8(17)6-10(15)18;1-3-12(6-16)8(17)11(2,19)9(20-12)15-5-4-7(13)14-10(15)18;1-11(17)9(16)7(5-13)18-10(11)12-3-2-6(14)4-8(12)15/h6-9,13-14H,5,10H2,1-4H3;8-9,13-14H,6-7,10H2,1-5H3;1,8-9,13-14H,7,10H2,2-5H3;1,8-9,11-12H,7H2,2-5H3,(H2,17,18,20);2*6-7,12-13,18H,5,8-9H2,1-4H3;6-7,9,12-13H,5,8H2,1-4H3;4-5,11-12,17-18H,6-8H2,1-3H3;4-5,9,11-12,16H,6-7H2,1-3H3;4-5,7,9,11-12H,6H2,1-3H3;1,4-5,8-9,16-17,19H,6H2,2H3,(H2,13,14,18);2-3,7,9-10,13,16-17H,4-5H2,1H3/t13-,14+,16+,17-;13-,14+,16+;13-,14+,16+,17+;11-,12+,15+,16+;12-,13+,15+,16+;2*12-,13+,15+,16-;11-,12+,14+;2*9-,11-,12-,14-;8-,9+,11+,12+;7-,9-,10-,11-/m000000001101/s1
InChIKeyNMYUWZIKKLTZLX-OJYMBKJTSA-N
MW3750.43 g/mol
LogP4.64
Rot. Bonds30

About 1-[(3aR,4R,6aR)-6,6-bis(hydroxymethyl)-2,2,3a-trimethyl-4,6a-dihydrofuro[3,4-d][1,3]dioxol-4-yl]pyridine-2,4-dione;1-[(3aR,4R,6S,6aR)-6-(2-chloroethenyl)-6-ethyl-2,2,3a-trimethyl-4,6a-dihydrofuro[3,4-d][1,3]dioxol-4-yl]pyridine-2,4-dione;1-[(3aR,4R,6aR)-6,6-diethyl-2,2,3a-trimethyl-4,6a-dihydrofuro[3,4-d][1,3]dioxol-4-yl]pyridine-2,4-dione;(3aR,4R,6S,6aR)-4-(2,4-dioxo-1-pyridinyl)-2,2,3a-trimethyl-6,6a-dihydro-4H-furo[3,4-d][1,3]dioxole-6-carbaldehyde;(3aR,4R,6R,6aS)-4-(2,4-dioxo-1-pyridinyl)-6-ethyl-2,2,3a-trimethyl-4,6a-dihydrofuro[3,4-d][1,3]dioxole-6-carbaldehyde;1-[(3aR,4R,6S,6aR)-6-ethyl-6-ethynyl-2,2,3a-trimethyl-4,6a-dihydrofuro[3,4-d][1,3]dioxol-4-yl]-4-aminopyrimidin-2-one;1-[(3aR,4R,6S,6aR)-6-ethyl-6-ethynyl-2,2,3a-trimethyl-4,6a-dihydrofuro[3,4-d][1,3]dioxol-4-yl]pyridine-2,4-dione;1-[(3aR,4R,6R,6aR)-6-ethyl-6-(hydroxymethyl)-2,2,3a-trimethyl-4,6a-dihydrofuro[3,4-d][1,3]dioxol-4-yl]pyridine-2,4-dione;1-[(3aR,4R,6S,6aR)-6-ethyl-6-(hydroxymethyl)-2,2,3a-trimethyl-4,6a-dihydrofuro[3,4-d][1,3]dioxol-4-yl]pyridine-2,4-dione;1-[(3aR,4R,6R,6aR)-6-(hydroxymethyl)-2,2,3a-trimethyl-6,6a-dihydro-4H-furo[3,4-d][1,3]dioxol-4-yl]pyridine-2,4-dione;4-amino-1-[(2R,3R,4S,5R)-5-ethynyl-3,4-dihydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]pyrimidin-2-one;1-[(2R,3R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]pyridine-2,4-dione

1-[(3aR,4R,6aR)-6,6-bis(hydroxymethyl)-2,2,3a-trimethyl-4,6a-dihydrofuro[3,4-d][1,3]dioxol-4-yl]pyridine-2,4-dione;1-[(3aR,4R,6S,6aR)-6-(2-chloroethenyl)-6-ethyl-2,2,3a-trimethyl-4,6a-dihydrofuro[3,4-d][1,3]dioxol-4-yl]pyridine-2,4-dione;1-[(3aR,4R,6aR)-6,6-diethyl-2,2,3a-trimethyl-4,6a-dihydrofuro[3,4-d][1,3]dioxol-4-yl]pyridine-2,4-dione;(3aR,4R,6S,6aR)-4-(2,4-dioxo-1-pyridinyl)-2,2,3a-trimethyl-6,6a-dihydro-4H-furo[3,4-d][1,3]dioxole-6-carbaldehyde;(3aR,4R,6R,6aS)-4-(2,4-dioxo-1-pyridinyl)-6-ethyl-2,2,3a-trimethyl-4,6a-dihydrofuro[3,4-d][1,3]dioxole-6-carbaldehyde;1-[(3aR,4R,6S,6aR)-6-ethyl-6-ethynyl-2,2,3a-trimethyl-4,6a-dihydrofuro[3,4-d][1,3]dioxol-4-yl]-4-aminopyrimidin-2-one;1-[(3aR,4R,6S,6aR)-6-ethyl-6-ethynyl-2,2,3a-trimethyl-4,6a-dihydrofuro[3,4-d][1,3]dioxol-4-yl]pyridine-2,4-dione;1-[(3aR,4R,6R,6aR)-6-ethyl-6-(hydroxymethyl)-2,2,3a-trimethyl-4,6a-dihydrofuro[3,4-d][1,3]dioxol-4-yl]pyridine-2,4-dione;1-[(3aR,4R,6S,6aR)-6-ethyl-6-(hydroxymethyl)-2,2,3a-trimethyl-4,6a-dihydrofuro[3,4-d][1,3]dioxol-4-yl]pyridine-2,4-dione;1-[(3aR,4R,6R,6aR)-6-(hydroxymethyl)-2,2,3a-trimethyl-6,6a-dihydro-4H-furo[3,4-d][1,3]dioxol-4-yl]pyridine-2,4-dione;4-amino-1-[(2R,3R,4S,5R)-5-ethynyl-3,4-dihydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]pyrimidin-2-one;1-[(2R,3R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]pyridine-2,4-dione (PubChem CID 159827018) has the molecular formula C181H243ClN16O67 and a molecular weight of 3750.43 g/mol. Its IUPAC name is 1-[(3aR,4R,6aR)-6,6-bis(hydroxymethyl)-2,2,3a-trimethyl-4,6a-dihydrofuro[3,4-d][1,3]dioxol-4-yl]pyridine-2,4-dione;1-[(3aR,4R,6S,6aR)-6-(2-chloroethenyl)-6-ethyl-2,2,3a-trimethyl-4,6a-dihydrofuro[3,4-d][1,3]dioxol-4-yl]pyridine-2,4-dione;1-[(3aR,4R,6aR)-6,6-diethyl-2,2,3a-trimethyl-4,6a-dihydrofuro[3,4-d][1,3]dioxol-4-yl]pyridine-2,4-dione;(3aR,4R,6S,6aR)-4-(2,4-dioxo-1-pyridinyl)-2,2,3a-trimethyl-6,6a-dihydro-4H-furo[3,4-d][1,3]dioxole-6-carbaldehyde;(3aR,4R,6R,6aS)-4-(2,4-dioxo-1-pyridinyl)-6-ethyl-2,2,3a-trimethyl-4,6a-dihydrofuro[3,4-d][1,3]dioxole-6-carbaldehyde;1-[(3aR,4R,6S,6aR)-6-ethyl-6-ethynyl-2,2,3a-trimethyl-4,6a-dihydrofuro[3,4-d][1,3]dioxol-4-yl]-4-aminopyrimidin-2-one;1-[(3aR,4R,6S,6aR)-6-ethyl-6-ethynyl-2,2,3a-trimethyl-4,6a-dihydrofuro[3,4-d][1,3]dioxol-4-yl]pyridine-2,4-dione;1-[(3aR,4R,6R,6aR)-6-ethyl-6-(hydroxymethyl)-2,2,3a-trimethyl-4,6a-dihydrofuro[3,4-d][1,3]dioxol-4-yl]pyridine-2,4-dione;1-[(3aR,4R,6S,6aR)-6-ethyl-6-(hydroxymethyl)-2,2,3a-trimethyl-4,6a-dihydrofuro[3,4-d][1,3]dioxol-4-yl]pyridine-2,4-dione;1-[(3aR,4R,6R,6aR)-6-(hydroxymethyl)-2,2,3a-trimethyl-6,6a-dihydro-4H-furo[3,4-d][1,3]dioxol-4-yl]pyridine-2,4-dione;4-amino-1-[(2R,3R,4S,5R)-5-ethynyl-3,4-dihydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]pyrimidin-2-one;1-[(2R,3R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]pyridine-2,4-dione.

Molecular Properties

Compound Name1-[(3aR,4R,6aR)-6,6-bis(hydroxymethyl)-2,2,3a-trimethyl-4,6a-dihydrofuro[3,4-d][1,3]dioxol-4-yl]pyridine-2,4-dione;1-[(3aR,4R,6S,6aR)-6-(2-chloroethenyl)-6-ethyl-2,2,3a-trimethyl-4,6a-dihydrofuro[3,4-d][1,3]dioxol-4-yl]pyridine-2,4-dione;1-[(3aR,4R,6aR)-6,6-diethyl-2,2,3a-trimethyl-4,6a-dihydrofuro[3,4-d][1,3]dioxol-4-yl]pyridine-2,4-dione;(3aR,4R,6S,6aR)-4-(2,4-dioxo-1-pyridinyl)-2,2,3a-trimethyl-6,6a-dihydro-4H-furo[3,4-d][1,3]dioxole-6-carbaldehyde;(3aR,4R,6R,6aS)-4-(2,4-dioxo-1-pyridinyl)-6-ethyl-2,2,3a-trimethyl-4,6a-dihydrofuro[3,4-d][1,3]dioxole-6-carbaldehyde;1-[(3aR,4R,6S,6aR)-6-ethyl-6-ethynyl-2,2,3a-trimethyl-4,6a-dihydrofuro[3,4-d][1,3]dioxol-4-yl]-4-aminopyrimidin-2-one;1-[(3aR,4R,6S,6aR)-6-ethyl-6-ethynyl-2,2,3a-trimethyl-4,6a-dihydrofuro[3,4-d][1,3]dioxol-4-yl]pyridine-2,4-dione;1-[(3aR,4R,6R,6aR)-6-ethyl-6-(hydroxymethyl)-2,2,3a-trimethyl-4,6a-dihydrofuro[3,4-d][1,3]dioxol-4-yl]pyridine-2,4-dione;1-[(3aR,4R,6S,6aR)-6-ethyl-6-(hydroxymethyl)-2,2,3a-trimethyl-4,6a-dihydrofuro[3,4-d][1,3]dioxol-4-yl]pyridine-2,4-dione;1-[(3aR,4R,6R,6aR)-6-(hydroxymethyl)-2,2,3a-trimethyl-6,6a-dihydro-4H-furo[3,4-d][1,3]dioxol-4-yl]pyridine-2,4-dione;4-amino-1-[(2R,3R,4S,5R)-5-ethynyl-3,4-dihydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]pyrimidin-2-one;1-[(2R,3R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]pyridine-2,4-dione
PubChem CID159827018
Molecular FormulaC181H243ClN16O67
Molecular Weight3750.43 g/mol
Exact Mass3747.58
IUPAC Name1-[(3aR,4R,6aR)-6,6-bis(hydroxymethyl)-2,2,3a-trimethyl-4,6a-dihydrofuro[3,4-d][1,3]dioxol-4-yl]pyridine-2,4-dione;1-[(3aR,4R,6S,6aR)-6-(2-chloroethenyl)-6-ethyl-2,2,3a-trimethyl-4,6a-dihydrofuro[3,4-d][1,3]dioxol-4-yl]pyridine-2,4-dione;1-[(3aR,4R,6aR)-6,6-diethyl-2,2,3a-trimethyl-4,6a-dihydrofuro[3,4-d][1,3]dioxol-4-yl]pyridine-2,4-dione;(3aR,4R,6S,6aR)-4-(2,4-dioxo-1-pyridinyl)-2,2,3a-trimethyl-6,6a-dihydro-4H-furo[3,4-d][1,3]dioxole-6-carbaldehyde;(3aR,4R,6R,6aS)-4-(2,4-dioxo-1-pyridinyl)-6-ethyl-2,2,3a-trimethyl-4,6a-dihydrofuro[3,4-d][1,3]dioxole-6-carbaldehyde;1-[(3aR,4R,6S,6aR)-6-ethyl-6-ethynyl-2,2,3a-trimethyl-4,6a-dihydrofuro[3,4-d][1,3]dioxol-4-yl]-4-aminopyrimidin-2-one;1-[(3aR,4R,6S,6aR)-6-ethyl-6-ethynyl-2,2,3a-trimethyl-4,6a-dihydrofuro[3,4-d][1,3]dioxol-4-yl]pyridine-2,4-dione;1-[(3aR,4R,6R,6aR)-6-ethyl-6-(hydroxymethyl)-2,2,3a-trimethyl-4,6a-dihydrofuro[3,4-d][1,3]dioxol-4-yl]pyridine-2,4-dione;1-[(3aR,4R,6S,6aR)-6-ethyl-6-(hydroxymethyl)-2,2,3a-trimethyl-4,6a-dihydrofuro[3,4-d][1,3]dioxol-4-yl]pyridine-2,4-dione;1-[(3aR,4R,6R,6aR)-6-(hydroxymethyl)-2,2,3a-trimethyl-6,6a-dihydro-4H-furo[3,4-d][1,3]dioxol-4-yl]pyridine-2,4-dione;4-amino-1-[(2R,3R,4S,5R)-5-ethynyl-3,4-dihydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]pyrimidin-2-one;1-[(2R,3R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]pyridine-2,4-dione
SMILESC#C[C@]1(CC)O[C@@H](N2C=CC(=O)CC2=O)[C@]2(C)OC(C)(C)O[C@@H]21.C#C[C@]1(CC)O[C@@H](n2ccc(N)nc2=O)[C@]2(C)OC(C)(C)O[C@@H]21.C#C[C@]1(CO)O[C@@H](n2ccc(N)nc2=O)[C@](C)(O)[C@@H]1O.CC1(C)O[C@@H]2C(CO)(CO)O[C@@H](N3C=CC(=O)CC3=O)[C@]2(C)O1.CC1(C)O[C@@H]2[C@@H](C=O)O[C@@H](N3C=CC(=O)CC3=O)[C@]2(C)O1.CC1(C)O[C@@H]2[C@@H](CO)O[C@@H](N3C=CC(=O)CC3=O)[C@]2(C)O1.CCC1(CC)O[C@@H](N2C=CC(=O)CC2=O)[C@]2(C)OC(C)(C)O[C@H]12.CC[C@@]1(C=CCl)O[C@@H](N2C=CC(=O)CC2=O)[C@]2(C)OC(C)(C)O[C@@H]21.CC[C@@]1(C=O)O[C@@H](N2C=CC(=O)CC2=O)[C@]2(C)OC(C)(C)O[C@@H]21.CC[C@@]1(CO)O[C@@H](N2C=CC(=O)CC2=O)[C@]2(C)OC(C)(C)O[C@H]12.CC[C@]1(CO)O[C@@H](N2C=CC(=O)CC2=O)[C@]2(C)OC(C)(C)O[C@H]12.C[C@@]1(O)[C@H](O)[C@@H](CO)O[C@H]1N1C=CC(=O)CC1=O
InChIInChI=1S/C17H22ClNO5.C17H25NO5.C17H21NO5.C16H21N3O4.2C16H23NO6.C16H21NO6.C15H21NO7.C14H19NO6.C14H17NO6.C12H15N3O5.C11H15NO6/c1-5-17(7-8-18)13-16(4,24-15(2,3)22-13)14(23-17)19-9-6-11(20)10-12(19)21;2*1-6-17(7-2)13-16(5,23-15(3,4)21-13)14(22-17)18-9-8-11(19)10-12(18)20;1-6-16(7-2)11-15(5,23-14(3,4)21-11)12(22-16)19-9-8-10(17)18-13(19)20;3*1-5-16(9-18)12-15(4,23-14(2,3)21-12)13(22-16)17-7-6-10(19)8-11(17)20;1-13(2)21-11-14(3,23-13)12(22-15(11,7-17)8-18)16-5-4-9(19)6-10(16)20;2*1-13(2)20-11-9(7-16)19-12(14(11,3)21-13)15-5-4-8(17)6-10(15)18;1-3-12(6-16)8(17)11(2,19)9(20-12)15-5-4-7(13)14-10(15)18;1-11(17)9(16)7(5-13)18-10(11)12-3-2-6(14)4-8(12)15/h6-9,13-14H,5,10H2,1-4H3;8-9,13-14H,6-7,10H2,1-5H3;1,8-9,13-14H,7,10H2,2-5H3;1,8-9,11-12H,7H2,2-5H3,(H2,17,18,20);2*6-7,12-13,18H,5,8-9H2,1-4H3;6-7,9,12-13H,5,8H2,1-4H3;4-5,11-12,17-18H,6-8H2,1-3H3;4-5,9,11-12,16H,6-7H2,1-3H3;4-5,7,9,11-12H,6H2,1-3H3;1,4-5,8-9,16-17,19H,6H2,2H3,(H2,13,14,18);2-3,7,9-10,13,16-17H,4-5H2,1H3/t13-,14+,16+,17-;13-,14+,16+;13-,14+,16+,17+;11-,12+,15+,16+;12-,13+,15+,16+;2*12-,13+,15+,16-;11-,12+,14+;2*9-,11-,12-,14-;8-,9+,11+,12+;7-,9-,10-,11-/m000000001101/s1
InChIKeyNMYUWZIKKLTZLX-OJYMBKJTSA-N
XLogP4.64
TPSA1047.65 Ų
H-Bond Donors13
H-Bond Acceptors73
Rotatable Bonds30
Heavy Atoms265
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003750.43
LogP ≤ 54.64
H-Bond Donors ≤ 513
H-Bond Acceptors ≤ 1073

Analyze 1-[(3aR,4R,6aR)-6,6-bis(hydroxymethyl)-2,2,3a-trimethyl-4,6a-dihydrofuro[3,4-d][1,3]dioxol-4-yl]pyridine-2,4-dione;1-[(3aR,4R,6S,6aR)-6-(2-chloroethenyl)-6-ethyl-2,2,3a-trimethyl-4,6a-dihydrofuro[3,4-d][1,3]dioxol-4-yl]pyridine-2,4-dione;1-[(3aR,4R,6aR)-6,6-diethyl-2,2,3a-trimethyl-4,6a-dihydrofuro[3,4-d][1,3]dioxol-4-yl]pyridine-2,4-dione;(3aR,4R,6S,6aR)-4-(2,4-dioxo-1-pyridinyl)-2,2,3a-trimethyl-6,6a-dihydro-4H-furo[3,4-d][1,3]dioxole-6-carbaldehyde;(3aR,4R,6R,6aS)-4-(2,4-dioxo-1-pyridinyl)-6-ethyl-2,2,3a-trimethyl-4,6a-dihydrofuro[3,4-d][1,3]dioxole-6-carbaldehyde;1-[(3aR,4R,6S,6aR)-6-ethyl-6-ethynyl-2,2,3a-trimethyl-4,6a-dihydrofuro[3,4-d][1,3]dioxol-4-yl]-4-aminopyrimidin-2-one;1-[(3aR,4R,6S,6aR)-6-ethyl-6-ethynyl-2,2,3a-trimethyl-4,6a-dihydrofuro[3,4-d][1,3]dioxol-4-yl]pyridine-2,4-dione;1-[(3aR,4R,6R,6aR)-6-ethyl-6-(hydroxymethyl)-2,2,3a-trimethyl-4,6a-dihydrofuro[3,4-d][1,3]dioxol-4-yl]pyridine-2,4-dione;1-[(3aR,4R,6S,6aR)-6-ethyl-6-(hydroxymethyl)-2,2,3a-trimethyl-4,6a-dihydrofuro[3,4-d][1,3]dioxol-4-yl]pyridine-2,4-dione;1-[(3aR,4R,6R,6aR)-6-(hydroxymethyl)-2,2,3a-trimethyl-6,6a-dihydro-4H-furo[3,4-d][1,3]dioxol-4-yl]pyridine-2,4-dione;4-amino-1-[(2R,3R,4S,5R)-5-ethynyl-3,4-dihydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]pyrimidin-2-one;1-[(2R,3R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]pyridine-2,4-dione with MolForge

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Related Compounds

1-[(3aR,4R,6aR)-6,6-bis(hydroxymethyl)-3a-methylspiro[4,6a-dihydrofuro[3,4-d][1,3]dioxole-2,1'-cyclopentane]-4-yl]pyrimidine-2,4-dione;1-[(3aR,4R,6aR)-6,6-diethyl-3a-methylspiro[4,6a-dihydrofuro[3,4-d][1,3]dioxole-2,1'-cyclopentane]-4-yl]pyrimidine-2,4-dione;(3aR,4R,6S,6aR)-4-(2,4-dioxopyrimidin-1-yl)-3a-methylspiro[6,6a-dihydro-4H-furo[3,4-d][1,3]dioxole-2,1'-cyclopentane]-6-carbaldehyde;1-[(3aR,4R,6R,6aR)-6-(hydroxymethyl)-3a-methylspiro[6,6a-dihydro-4H-furo[3,4-d][1,3]dioxole-2,1'-cyclopentane]-4-yl]pyrimidine-2,4-dione;1-[(2R,3R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]pyrimidine-2,4-dione
CID 158313391
1-[(3aS,4R,6R)-6-(hydroxymethyl)-2,2,3a-trimethyl-6,6a-dihydro-4H-furo[3,4-d][1,3]dioxol-4-yl]-4-aminopyrimidin-2-one;1-[(3aS,4R,6R)-6-(hydroxymethyl)-2,2,3a-trimethyl-6,6a-dihydro-4H-furo[3,4-d][1,3]dioxol-4-yl]-4-[[bis(4-methoxyphenyl)-phenylmethyl]amino]pyrimidin-2-one;4-amino-1-[(2R,3S,5R)-3,4-dihydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]pyrimidin-2-one
CID 157338814
4-amino-1-[(2R,4R,5R)-5-ethynyl-3,3-difluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one
CID 23519644
4-amino-1-[(3R)-3-ethynyl-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one
CID 155889313
4-amino-1-[(4S)-3-ethynyl-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one
CID 145393470
4-amino-1-[5-(fluoromethyl)-3,4-dihydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]pyrimidin-2-one
CID 123389175
4-amino-1-[(2R,5R)-5-ethyl-3,4-dihydroxy-3-methyloxolan-2-yl]pyrimidin-2-one
CID 71083164
4-amino-1-[(3S,4S,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]pyrimidin-2-one
CID 58855695
4-amino-1-[(2R,4R,5S)-3,3-difluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one
CID 6093357
4-amino-1-[(2S,4R,5R)-3,3-difluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl](213C,1,3-15N2)pyrimidin-2-one
CID 129010189
4-amino-1-[(4R,5R)-3,3-difluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one
CID 11054511
4-amino-1-[(2R,4R,5R)-3,3-difluoro-4-hydroxy-5-(hydroxymethyl)-5-propa-1,2-dienyloxolan-2-yl]pyrimidin-2-one
CID 175677862

Frequently Asked Questions

What is the IUPAC name of 1-[(3aR,4R,6aR)-6,6-bis(hydroxymethyl)-2,2,3a-trimethyl-4,6a-dihydrofuro[3,4-d][1,3]dioxol-4-yl]pyridine-2,4-dione;1-[(3aR,4R,6S,6aR)-6-(2-chloroethenyl)-6-ethyl-2,2,3a-trimethyl-4,6a-dihydrofuro[3,4-d][1,3]dioxol-4-yl]pyridine-2,4-dione;1-[(3aR,4R,6aR)-6,6-diethyl-2,2,3a-trimethyl-4,6a-dihydrofuro[3,4-d][1,3]dioxol-4-yl]pyridine-2,4-dione;(3aR,4R,6S,6aR)-4-(2,4-dioxo-1-pyridinyl)-2,2,3a-trimethyl-6,6a-dihydro-4H-furo[3,4-d][1,3]dioxole-6-carbaldehyde;(3aR,4R,6R,6aS)-4-(2,4-dioxo-1-pyridinyl)-6-ethyl-2,2,3a-trimethyl-4,6a-dihydrofuro[3,4-d][1,3]dioxole-6-carbaldehyde;1-[(3aR,4R,6S,6aR)-6-ethyl-6-ethynyl-2,2,3a-trimethyl-4,6a-dihydrofuro[3,4-d][1,3]dioxol-4-yl]-4-aminopyrimidin-2-one;1-[(3aR,4R,6S,6aR)-6-ethyl-6-ethynyl-2,2,3a-trimethyl-4,6a-dihydrofuro[3,4-d][1,3]dioxol-4-yl]pyridine-2,4-dione;1-[(3aR,4R,6R,6aR)-6-ethyl-6-(hydroxymethyl)-2,2,3a-trimethyl-4,6a-dihydrofuro[3,4-d][1,3]dioxol-4-yl]pyridine-2,4-dione;1-[(3aR,4R,6S,6aR)-6-ethyl-6-(hydroxymethyl)-2,2,3a-trimethyl-4,6a-dihydrofuro[3,4-d][1,3]dioxol-4-yl]pyridine-2,4-dione;1-[(3aR,4R,6R,6aR)-6-(hydroxymethyl)-2,2,3a-trimethyl-6,6a-dihydro-4H-furo[3,4-d][1,3]dioxol-4-yl]pyridine-2,4-dione;4-amino-1-[(2R,3R,4S,5R)-5-ethynyl-3,4-dihydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]pyrimidin-2-one;1-[(2R,3R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]pyridine-2,4-dione?
The IUPAC name of 1-[(3aR,4R,6aR)-6,6-bis(hydroxymethyl)-2,2,3a-trimethyl-4,6a-dihydrofuro[3,4-d][1,3]dioxol-4-yl]pyridine-2,4-dione;1-[(3aR,4R,6S,6aR)-6-(2-chloroethenyl)-6-ethyl-2,2,3a-trimethyl-4,6a-dihydrofuro[3,4-d][1,3]dioxol-4-yl]pyridine-2,4-dione;1-[(3aR,4R,6aR)-6,6-diethyl-2,2,3a-trimethyl-4,6a-dihydrofuro[3,4-d][1,3]dioxol-4-yl]pyridine-2,4-dione;(3aR,4R,6S,6aR)-4-(2,4-dioxo-1-pyridinyl)-2,2,3a-trimethyl-6,6a-dihydro-4H-furo[3,4-d][1,3]dioxole-6-carbaldehyde;(3aR,4R,6R,6aS)-4-(2,4-dioxo-1-pyridinyl)-6-ethyl-2,2,3a-trimethyl-4,6a-dihydrofuro[3,4-d][1,3]dioxole-6-carbaldehyde;1-[(3aR,4R,6S,6aR)-6-ethyl-6-ethynyl-2,2,3a-trimethyl-4,6a-dihydrofuro[3,4-d][1,3]dioxol-4-yl]-4-aminopyrimidin-2-one;1-[(3aR,4R,6S,6aR)-6-ethyl-6-ethynyl-2,2,3a-trimethyl-4,6a-dihydrofuro[3,4-d][1,3]dioxol-4-yl]pyridine-2,4-dione;1-[(3aR,4R,6R,6aR)-6-ethyl-6-(hydroxymethyl)-2,2,3a-trimethyl-4,6a-dihydrofuro[3,4-d][1,3]dioxol-4-yl]pyridine-2,4-dione;1-[(3aR,4R,6S,6aR)-6-ethyl-6-(hydroxymethyl)-2,2,3a-trimethyl-4,6a-dihydrofuro[3,4-d][1,3]dioxol-4-yl]pyridine-2,4-dione;1-[(3aR,4R,6R,6aR)-6-(hydroxymethyl)-2,2,3a-trimethyl-6,6a-dihydro-4H-furo[3,4-d][1,3]dioxol-4-yl]pyridine-2,4-dione;4-amino-1-[(2R,3R,4S,5R)-5-ethynyl-3,4-dihydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]pyrimidin-2-one;1-[(2R,3R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]pyridine-2,4-dione (CID 159827018) is 1-[(3aR,4R,6aR)-6,6-bis(hydroxymethyl)-2,2,3a-trimethyl-4,6a-dihydrofuro[3,4-d][1,3]dioxol-4-yl]pyridine-2,4-dione;1-[(3aR,4R,6S,6aR)-6-(2-chloroethenyl)-6-ethyl-2,2,3a-trimethyl-4,6a-dihydrofuro[3,4-d][1,3]dioxol-4-yl]pyridine-2,4-dione;1-[(3aR,4R,6aR)-6,6-diethyl-2,2,3a-trimethyl-4,6a-dihydrofuro[3,4-d][1,3]dioxol-4-yl]pyridine-2,4-dione;(3aR,4R,6S,6aR)-4-(2,4-dioxo-1-pyridinyl)-2,2,3a-trimethyl-6,6a-dihydro-4H-furo[3,4-d][1,3]dioxole-6-carbaldehyde;(3aR,4R,6R,6aS)-4-(2,4-dioxo-1-pyridinyl)-6-ethyl-2,2,3a-trimethyl-4,6a-dihydrofuro[3,4-d][1,3]dioxole-6-carbaldehyde;1-[(3aR,4R,6S,6aR)-6-ethyl-6-ethynyl-2,2,3a-trimethyl-4,6a-dihydrofuro[3,4-d][1,3]dioxol-4-yl]-4-aminopyrimidin-2-one;1-[(3aR,4R,6S,6aR)-6-ethyl-6-ethynyl-2,2,3a-trimethyl-4,6a-dihydrofuro[3,4-d][1,3]dioxol-4-yl]pyridine-2,4-dione;1-[(3aR,4R,6R,6aR)-6-ethyl-6-(hydroxymethyl)-2,2,3a-trimethyl-4,6a-dihydrofuro[3,4-d][1,3]dioxol-4-yl]pyridine-2,4-dione;1-[(3aR,4R,6S,6aR)-6-ethyl-6-(hydroxymethyl)-2,2,3a-trimethyl-4,6a-dihydrofuro[3,4-d][1,3]dioxol-4-yl]pyridine-2,4-dione;1-[(3aR,4R,6R,6aR)-6-(hydroxymethyl)-2,2,3a-trimethyl-6,6a-dihydro-4H-furo[3,4-d][1,3]dioxol-4-yl]pyridine-2,4-dione;4-amino-1-[(2R,3R,4S,5R)-5-ethynyl-3,4-dihydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]pyrimidin-2-one;1-[(2R,3R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]pyridine-2,4-dione.
What is the SMILES notation for 1-[(3aR,4R,6aR)-6,6-bis(hydroxymethyl)-2,2,3a-trimethyl-4,6a-dihydrofuro[3,4-d][1,3]dioxol-4-yl]pyridine-2,4-dione;1-[(3aR,4R,6S,6aR)-6-(2-chloroethenyl)-6-ethyl-2,2,3a-trimethyl-4,6a-dihydrofuro[3,4-d][1,3]dioxol-4-yl]pyridine-2,4-dione;1-[(3aR,4R,6aR)-6,6-diethyl-2,2,3a-trimethyl-4,6a-dihydrofuro[3,4-d][1,3]dioxol-4-yl]pyridine-2,4-dione;(3aR,4R,6S,6aR)-4-(2,4-dioxo-1-pyridinyl)-2,2,3a-trimethyl-6,6a-dihydro-4H-furo[3,4-d][1,3]dioxole-6-carbaldehyde;(3aR,4R,6R,6aS)-4-(2,4-dioxo-1-pyridinyl)-6-ethyl-2,2,3a-trimethyl-4,6a-dihydrofuro[3,4-d][1,3]dioxole-6-carbaldehyde;1-[(3aR,4R,6S,6aR)-6-ethyl-6-ethynyl-2,2,3a-trimethyl-4,6a-dihydrofuro[3,4-d][1,3]dioxol-4-yl]-4-aminopyrimidin-2-one;1-[(3aR,4R,6S,6aR)-6-ethyl-6-ethynyl-2,2,3a-trimethyl-4,6a-dihydrofuro[3,4-d][1,3]dioxol-4-yl]pyridine-2,4-dione;1-[(3aR,4R,6R,6aR)-6-ethyl-6-(hydroxymethyl)-2,2,3a-trimethyl-4,6a-dihydrofuro[3,4-d][1,3]dioxol-4-yl]pyridine-2,4-dione;1-[(3aR,4R,6S,6aR)-6-ethyl-6-(hydroxymethyl)-2,2,3a-trimethyl-4,6a-dihydrofuro[3,4-d][1,3]dioxol-4-yl]pyridine-2,4-dione;1-[(3aR,4R,6R,6aR)-6-(hydroxymethyl)-2,2,3a-trimethyl-6,6a-dihydro-4H-furo[3,4-d][1,3]dioxol-4-yl]pyridine-2,4-dione;4-amino-1-[(2R,3R,4S,5R)-5-ethynyl-3,4-dihydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]pyrimidin-2-one;1-[(2R,3R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]pyridine-2,4-dione?
The canonical SMILES for 1-[(3aR,4R,6aR)-6,6-bis(hydroxymethyl)-2,2,3a-trimethyl-4,6a-dihydrofuro[3,4-d][1,3]dioxol-4-yl]pyridine-2,4-dione;1-[(3aR,4R,6S,6aR)-6-(2-chloroethenyl)-6-ethyl-2,2,3a-trimethyl-4,6a-dihydrofuro[3,4-d][1,3]dioxol-4-yl]pyridine-2,4-dione;1-[(3aR,4R,6aR)-6,6-diethyl-2,2,3a-trimethyl-4,6a-dihydrofuro[3,4-d][1,3]dioxol-4-yl]pyridine-2,4-dione;(3aR,4R,6S,6aR)-4-(2,4-dioxo-1-pyridinyl)-2,2,3a-trimethyl-6,6a-dihydro-4H-furo[3,4-d][1,3]dioxole-6-carbaldehyde;(3aR,4R,6R,6aS)-4-(2,4-dioxo-1-pyridinyl)-6-ethyl-2,2,3a-trimethyl-4,6a-dihydrofuro[3,4-d][1,3]dioxole-6-carbaldehyde;1-[(3aR,4R,6S,6aR)-6-ethyl-6-ethynyl-2,2,3a-trimethyl-4,6a-dihydrofuro[3,4-d][1,3]dioxol-4-yl]-4-aminopyrimidin-2-one;1-[(3aR,4R,6S,6aR)-6-ethyl-6-ethynyl-2,2,3a-trimethyl-4,6a-dihydrofuro[3,4-d][1,3]dioxol-4-yl]pyridine-2,4-dione;1-[(3aR,4R,6R,6aR)-6-ethyl-6-(hydroxymethyl)-2,2,3a-trimethyl-4,6a-dihydrofuro[3,4-d][1,3]dioxol-4-yl]pyridine-2,4-dione;1-[(3aR,4R,6S,6aR)-6-ethyl-6-(hydroxymethyl)-2,2,3a-trimethyl-4,6a-dihydrofuro[3,4-d][1,3]dioxol-4-yl]pyridine-2,4-dione;1-[(3aR,4R,6R,6aR)-6-(hydroxymethyl)-2,2,3a-trimethyl-6,6a-dihydro-4H-furo[3,4-d][1,3]dioxol-4-yl]pyridine-2,4-dione;4-amino-1-[(2R,3R,4S,5R)-5-ethynyl-3,4-dihydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]pyrimidin-2-one;1-[(2R,3R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]pyridine-2,4-dione is C#C[C@]1(CC)O[C@@H](N2C=CC(=O)CC2=O)[C@]2(C)OC(C)(C)O[C@@H]21.C#C[C@]1(CC)O[C@@H](n2ccc(N)nc2=O)[C@]2(C)OC(C)(C)O[C@@H]21.C#C[C@]1(CO)O[C@@H](n2ccc(N)nc2=O)[C@](C)(O)[C@@H]1O.CC1(C)O[C@@H]2C(CO)(CO)O[C@@H](N3C=CC(=O)CC3=O)[C@]2(C)O1.CC1(C)O[C@@H]2[C@@H](C=O)O[C@@H](N3C=CC(=O)CC3=O)[C@]2(C)O1.CC1(C)O[C@@H]2[C@@H](CO)O[C@@H](N3C=CC(=O)CC3=O)[C@]2(C)O1.CCC1(CC)O[C@@H](N2C=CC(=O)CC2=O)[C@]2(C)OC(C)(C)O[C@H]12.CC[C@@]1(C=CCl)O[C@@H](N2C=CC(=O)CC2=O)[C@]2(C)OC(C)(C)O[C@@H]21.CC[C@@]1(C=O)O[C@@H](N2C=CC(=O)CC2=O)[C@]2(C)OC(C)(C)O[C@@H]21.CC[C@@]1(CO)O[C@@H](N2C=CC(=O)CC2=O)[C@]2(C)OC(C)(C)O[C@H]12.CC[C@]1(CO)O[C@@H](N2C=CC(=O)CC2=O)[C@]2(C)OC(C)(C)O[C@H]12.C[C@@]1(O)[C@H](O)[C@@H](CO)O[C@H]1N1C=CC(=O)CC1=O.
What is the InChIKey of 1-[(3aR,4R,6aR)-6,6-bis(hydroxymethyl)-2,2,3a-trimethyl-4,6a-dihydrofuro[3,4-d][1,3]dioxol-4-yl]pyridine-2,4-dione;1-[(3aR,4R,6S,6aR)-6-(2-chloroethenyl)-6-ethyl-2,2,3a-trimethyl-4,6a-dihydrofuro[3,4-d][1,3]dioxol-4-yl]pyridine-2,4-dione;1-[(3aR,4R,6aR)-6,6-diethyl-2,2,3a-trimethyl-4,6a-dihydrofuro[3,4-d][1,3]dioxol-4-yl]pyridine-2,4-dione;(3aR,4R,6S,6aR)-4-(2,4-dioxo-1-pyridinyl)-2,2,3a-trimethyl-6,6a-dihydro-4H-furo[3,4-d][1,3]dioxole-6-carbaldehyde;(3aR,4R,6R,6aS)-4-(2,4-dioxo-1-pyridinyl)-6-ethyl-2,2,3a-trimethyl-4,6a-dihydrofuro[3,4-d][1,3]dioxole-6-carbaldehyde;1-[(3aR,4R,6S,6aR)-6-ethyl-6-ethynyl-2,2,3a-trimethyl-4,6a-dihydrofuro[3,4-d][1,3]dioxol-4-yl]-4-aminopyrimidin-2-one;1-[(3aR,4R,6S,6aR)-6-ethyl-6-ethynyl-2,2,3a-trimethyl-4,6a-dihydrofuro[3,4-d][1,3]dioxol-4-yl]pyridine-2,4-dione;1-[(3aR,4R,6R,6aR)-6-ethyl-6-(hydroxymethyl)-2,2,3a-trimethyl-4,6a-dihydrofuro[3,4-d][1,3]dioxol-4-yl]pyridine-2,4-dione;1-[(3aR,4R,6S,6aR)-6-ethyl-6-(hydroxymethyl)-2,2,3a-trimethyl-4,6a-dihydrofuro[3,4-d][1,3]dioxol-4-yl]pyridine-2,4-dione;1-[(3aR,4R,6R,6aR)-6-(hydroxymethyl)-2,2,3a-trimethyl-6,6a-dihydro-4H-furo[3,4-d][1,3]dioxol-4-yl]pyridine-2,4-dione;4-amino-1-[(2R,3R,4S,5R)-5-ethynyl-3,4-dihydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]pyrimidin-2-one;1-[(2R,3R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]pyridine-2,4-dione?
The InChIKey is NMYUWZIKKLTZLX-OJYMBKJTSA-N. The full InChI is InChI=1S/C17H22ClNO5.C17H25NO5.C17H21NO5.C16H21N3O4.2C16H23NO6.C16H21NO6.C15H21NO7.C14H19NO6.C14H17NO6.C12H15N3O5.C11H15NO6/c1-5-17(7-8-18)13-16(4,24-15(2,3)22-13)14(23-17)19-9-6-11(20)10-12(19)21;2*1-6-17(7-2)13-16(5,23-15(3,4)21-13)14(22-17)18-9-8-11(19)10-12(18)20;1-6-16(7-2)11-15(5,23-14(3,4)21-11)12(22-16)19-9-8-10(17)18-13(19)20;3*1-5-16(9-18)12-15(4,23-14(2,3)21-12)13(22-16)17-7-6-10(19)8-11(17)20;1-13(2)21-11-14(3,23-13)12(22-15(11,7-17)8-18)16-5-4-9(19)6-10(16)20;2*1-13(2)20-11-9(7-16)19-12(14(11,3)21-13)15-5-4-8(17)6-10(15)18;1-3-12(6-16)8(17)11(2,19)9(20-12)15-5-4-7(13)14-10(15)18;1-11(17)9(16)7(5-13)18-10(11)12-3-2-6(14)4-8(12)15/h6-9,13-14H,5,10H2,1-4H3;8-9,13-14H,6-7,10H2,1-5H3;1,8-9,13-14H,7,10H2,2-5H3;1,8-9,11-12H,7H2,2-5H3,(H2,17,18,20);2*6-7,12-13,18H,5,8-9H2,1-4H3;6-7,9,12-13H,5,8H2,1-4H3;4-5,11-12,17-18H,6-8H2,1-3H3;4-5,9,11-12,16H,6-7H2,1-3H3;4-5,7,9,11-12H,6H2,1-3H3;1,4-5,8-9,16-17,19H,6H2,2H3,(H2,13,14,18);2-3,7,9-10,13,16-17H,4-5H2,1H3/t13-,14+,16+,17-;13-,14+,16+;13-,14+,16+,17+;11-,12+,15+,16+;12-,13+,15+,16+;2*12-,13+,15+,16-;11-,12+,14+;2*9-,11-,12-,14-;8-,9+,11+,12+;7-,9-,10-,11-/m000000001101/s1.
What are the key properties of 1-[(3aR,4R,6aR)-6,6-bis(hydroxymethyl)-2,2,3a-trimethyl-4,6a-dihydrofuro[3,4-d][1,3]dioxol-4-yl]pyridine-2,4-dione;1-[(3aR,4R,6S,6aR)-6-(2-chloroethenyl)-6-ethyl-2,2,3a-trimethyl-4,6a-dihydrofuro[3,4-d][1,3]dioxol-4-yl]pyridine-2,4-dione;1-[(3aR,4R,6aR)-6,6-diethyl-2,2,3a-trimethyl-4,6a-dihydrofuro[3,4-d][1,3]dioxol-4-yl]pyridine-2,4-dione;(3aR,4R,6S,6aR)-4-(2,4-dioxo-1-pyridinyl)-2,2,3a-trimethyl-6,6a-dihydro-4H-furo[3,4-d][1,3]dioxole-6-carbaldehyde;(3aR,4R,6R,6aS)-4-(2,4-dioxo-1-pyridinyl)-6-ethyl-2,2,3a-trimethyl-4,6a-dihydrofuro[3,4-d][1,3]dioxole-6-carbaldehyde;1-[(3aR,4R,6S,6aR)-6-ethyl-6-ethynyl-2,2,3a-trimethyl-4,6a-dihydrofuro[3,4-d][1,3]dioxol-4-yl]-4-aminopyrimidin-2-one;1-[(3aR,4R,6S,6aR)-6-ethyl-6-ethynyl-2,2,3a-trimethyl-4,6a-dihydrofuro[3,4-d][1,3]dioxol-4-yl]pyridine-2,4-dione;1-[(3aR,4R,6R,6aR)-6-ethyl-6-(hydroxymethyl)-2,2,3a-trimethyl-4,6a-dihydrofuro[3,4-d][1,3]dioxol-4-yl]pyridine-2,4-dione;1-[(3aR,4R,6S,6aR)-6-ethyl-6-(hydroxymethyl)-2,2,3a-trimethyl-4,6a-dihydrofuro[3,4-d][1,3]dioxol-4-yl]pyridine-2,4-dione;1-[(3aR,4R,6R,6aR)-6-(hydroxymethyl)-2,2,3a-trimethyl-6,6a-dihydro-4H-furo[3,4-d][1,3]dioxol-4-yl]pyridine-2,4-dione;4-amino-1-[(2R,3R,4S,5R)-5-ethynyl-3,4-dihydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]pyrimidin-2-one;1-[(2R,3R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]pyridine-2,4-dione?
1-[(3aR,4R,6aR)-6,6-bis(hydroxymethyl)-2,2,3a-trimethyl-4,6a-dihydrofuro[3,4-d][1,3]dioxol-4-yl]pyridine-2,4-dione;1-[(3aR,4R,6S,6aR)-6-(2-chloroethenyl)-6-ethyl-2,2,3a-trimethyl-4,6a-dihydrofuro[3,4-d][1,3]dioxol-4-yl]pyridine-2,4-dione;1-[(3aR,4R,6aR)-6,6-diethyl-2,2,3a-trimethyl-4,6a-dihydrofuro[3,4-d][1,3]dioxol-4-yl]pyridine-2,4-dione;(3aR,4R,6S,6aR)-4-(2,4-dioxo-1-pyridinyl)-2,2,3a-trimethyl-6,6a-dihydro-4H-furo[3,4-d][1,3]dioxole-6-carbaldehyde;(3aR,4R,6R,6aS)-4-(2,4-dioxo-1-pyridinyl)-6-ethyl-2,2,3a-trimethyl-4,6a-dihydrofuro[3,4-d][1,3]dioxole-6-carbaldehyde;1-[(3aR,4R,6S,6aR)-6-ethyl-6-ethynyl-2,2,3a-trimethyl-4,6a-dihydrofuro[3,4-d][1,3]dioxol-4-yl]-4-aminopyrimidin-2-one;1-[(3aR,4R,6S,6aR)-6-ethyl-6-ethynyl-2,2,3a-trimethyl-4,6a-dihydrofuro[3,4-d][1,3]dioxol-4-yl]pyridine-2,4-dione;1-[(3aR,4R,6R,6aR)-6-ethyl-6-(hydroxymethyl)-2,2,3a-trimethyl-4,6a-dihydrofuro[3,4-d][1,3]dioxol-4-yl]pyridine-2,4-dione;1-[(3aR,4R,6S,6aR)-6-ethyl-6-(hydroxymethyl)-2,2,3a-trimethyl-4,6a-dihydrofuro[3,4-d][1,3]dioxol-4-yl]pyridine-2,4-dione;1-[(3aR,4R,6R,6aR)-6-(hydroxymethyl)-2,2,3a-trimethyl-6,6a-dihydro-4H-furo[3,4-d][1,3]dioxol-4-yl]pyridine-2,4-dione;4-amino-1-[(2R,3R,4S,5R)-5-ethynyl-3,4-dihydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]pyrimidin-2-one;1-[(2R,3R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]pyridine-2,4-dione has a molecular weight of 3750.43 g/mol, XLogP of 4.64, 30 rotatable bonds, 13 hydrogen bond donors, and 73 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3aR,4R,6aR)-6,6-bis(hydroxymethyl)-2,2,3a-trimethyl-4,6a-dihydrofuro[3,4-d][1,3]dioxol-4-yl]pyridine-2,4-dione;1-[(3aR,4R,6S,6aR)-6-(2-chloroethenyl)-6-ethyl-2,2,3a-trimethyl-4,6a-dihydrofuro[3,4-d][1,3]dioxol-4-yl]pyridine-2,4-dione;1-[(3aR,4R,6aR)-6,6-diethyl-2,2,3a-trimethyl-4,6a-dihydrofuro[3,4-d][1,3]dioxol-4-yl]pyridine-2,4-dione;(3aR,4R,6S,6aR)-4-(2,4-dioxo-1-pyridinyl)-2,2,3a-trimethyl-6,6a-dihydro-4H-furo[3,4-d][1,3]dioxole-6-carbaldehyde;(3aR,4R,6R,6aS)-4-(2,4-dioxo-1-pyridinyl)-6-ethyl-2,2,3a-trimethyl-4,6a-dihydrofuro[3,4-d][1,3]dioxole-6-carbaldehyde;1-[(3aR,4R,6S,6aR)-6-ethyl-6-ethynyl-2,2,3a-trimethyl-4,6a-dihydrofuro[3,4-d][1,3]dioxol-4-yl]-4-aminopyrimidin-2-one;1-[(3aR,4R,6S,6aR)-6-ethyl-6-ethynyl-2,2,3a-trimethyl-4,6a-dihydrofuro[3,4-d][1,3]dioxol-4-yl]pyridine-2,4-dione;1-[(3aR,4R,6R,6aR)-6-ethyl-6-(hydroxymethyl)-2,2,3a-trimethyl-4,6a-dihydrofuro[3,4-d][1,3]dioxol-4-yl]pyridine-2,4-dione;1-[(3aR,4R,6S,6aR)-6-ethyl-6-(hydroxymethyl)-2,2,3a-trimethyl-4,6a-dihydrofuro[3,4-d][1,3]dioxol-4-yl]pyridine-2,4-dione;1-[(3aR,4R,6R,6aR)-6-(hydroxymethyl)-2,2,3a-trimethyl-6,6a-dihydro-4H-furo[3,4-d][1,3]dioxol-4-yl]pyridine-2,4-dione;4-amino-1-[(2R,3R,4S,5R)-5-ethynyl-3,4-dihydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]pyrimidin-2-one;1-[(2R,3R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]pyridine-2,4-dione is sourced from PubChem (CID 159827018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).