[(2S,3R,4R,5R)-4-acetyloxy-3-azido-5-[3-[(E)-3-ethoxy-3-oxoprop-1-enyl]-5-methyl-2,4-dioxopyrimidin-1-yl]oxolan-2-yl]methyl 4-methylbenzoate;[(2S,3R,4R,5R)-4-acetyloxy-3-azido-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl 4-methylbenzoate;[(2S,3R,4R,5R)-3-azido-4-ethoxy-5-[3-[(E)-3-ethoxy-3-oxoprop-1-enyl]-5-methyl-2,4-dioxopyrimidin-1-yl]oxolan-2-yl]methyl 4-methylbenzoate;[(2S,3R,4R,5R)-3-azido-4-ethoxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl 4-methylbenzoate;[(2S,3S,4R,5R)-3-azido-5-[3-[(E)-3-ethoxy-3-oxoprop-1-enyl]-5-methyl-2,4-dioxopyrimidin-1-yl]-4-hydroxyoxolan-2-yl]methyl 4-methylbenzoate;[(2S,3R,4R)-4,5-diacetyloxy-3-azidooxolan-2-yl]methyl 4-methylbenzoate;ethyl prop-2-ynoate;5-methyl-5H-pyrimidine-2,4-dione

C140H156N30O49 — CID 157472981

IUPAC[(2S,3R,4R,5R)-4-acetyloxy-3-azido-5-[3-[(E)-3-ethoxy-3-oxoprop-1-enyl]-5-methyl-2,4-dioxopyrimidin-1-yl]oxolan-2-yl]methyl 4-methylbenzoate;[(2S,3R,4R,5R)-4-acetyloxy-3-azido-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl 4-methylbenzoate;[(2S,3R,4R,5R)-3-azido-4-ethoxy-5-[3-[(E)-3-ethoxy-3-oxoprop-1-enyl]-5-methyl-2,4-dioxopyrimidin-1-yl]oxolan-2-yl]methyl 4-methylbenzoate;[(2S,3R,4R,5R)-3-azido-4-ethoxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl 4-methylbenzoate;[(2S,3S,4R,5R)-3-azido-5-[3-[(E)-3-ethoxy-3-oxoprop-1-enyl]-5-methyl-2,4-dioxopyrimidin-1-yl]-4-hydroxyoxolan-2-yl]methyl 4-methylbenzoate;[(2S,3R,4R)-4,5-diacetyloxy-3-azidooxolan-2-yl]methyl 4-methylbenzoate;ethyl prop-2-ynoate;5-methyl-5H-pyrimidine-2,4-dione
SMILESC#CC(=O)OCC.CC(=O)OC1O[C@H](COC(=O)c2ccc(C)cc2)[C@@H](N=[N+]=[N-])[C@H]1OC(C)=O.CC(=O)O[C@@H]1[C@H](N=[N+]=[N-])[C@@H](COC(=O)c2ccc(C)cc2)O[C@H]1n1cc(C)c(=O)[nH]c1=O.CC1C=NC(=O)NC1=O.CCOC(=O)/C=C/n1c(=O)c(C)cn([C@@H]2O[C@H](COC(=O)c3ccc(C)cc3)[C@@H](N=[N+]=[N-])[C@H]2O)c1=O.CCOC(=O)/C=C/n1c(=O)c(C)cn([C@@H]2O[C@H](COC(=O)c3ccc(C)cc3)[C@@H](N=[N+]=[N-])[C@H]2OC(C)=O)c1=O.CCOC(=O)/C=C/n1c(=O)c(C)cn([C@@H]2O[C@H](COC(=O)c3ccc(C)cc3)[C@@H](N=[N+]=[N-])[C@H]2OCC)c1=O.CCO[C@@H]1[C@H](N=[N+]=[N-])[C@@H](COC(=O)c2ccc(C)cc2)O[C@H]1n1cc(C)c(=O)[nH]c1=O
InChIInChI=1S/C25H27N5O9.C25H29N5O8.C23H25N5O8.C20H21N5O7.C20H23N5O6.C17H19N3O7.C5H6N2O2.C5H6O2/c1-5-36-19(32)10-11-29-22(33)15(3)12-30(25(29)35)23-21(38-16(4)31)20(27-28-26)18(39-23)13-37-24(34)17-8-6-14(2)7-9-17;1-5-35-19(31)11-12-29-22(32)16(4)13-30(25(29)34)23-21(36-6-2)20(27-28-26)18(38-23)14-37-24(33)17-9-7-15(3)8-10-17;1-4-34-17(29)9-10-27-20(31)14(3)11-28(23(27)33)21-19(30)18(25-26-24)16(36-21)12-35-22(32)15-7-5-13(2)6-8-15;1-10-4-6-13(7-5-10)19(28)30-9-14-15(23-24-21)16(31-12(3)26)18(32-14)25-8-11(2)17(27)22-20(25)29;1-4-29-16-15(23-24-21)14(10-30-19(27)13-7-5-11(2)6-8-13)31-18(16)25-9-12(3)17(26)22-20(25)28;1-9-4-6-12(7-5-9)16(23)24-8-13-14(19-20-18)15(25-10(2)21)17(27-13)26-11(3)22;1-3-2-6-5(9)7-4(3)8;1-3-5(6)7-4-2/h6-12,18,20-21,23H,5,13H2,1-4H3;7-13,18,20-21,23H,5-6,14H2,1-4H3;5-11,16,18-19,21,30H,4,12H2,1-3H3;4-8,14-16,18H,9H2,1-3H3,(H,22,27,29);5-9,14-16,18H,4,10H2,1-3H3,(H,22,26,28);4-7,13-15,17H,8H2,1-3H3;2-3H,1H3,(H,7,8,9);1H,4H2,2H3/b11-10+;12-11+;10-9+;;;;;/t2*18-,20-,21-,23-;16-,18-,19-,21-;2*14-,15-,16-,18-;13-,14-,15-,17?;;/m111111../s1
InChIKeyBVGJHNLLMBWGEZ-UFUMMUDJSA-N
MW3042.95 g/mol
LogP11.67
Rot. Bonds47

About [(2S,3R,4R,5R)-4-acetyloxy-3-azido-5-[3-[(E)-3-ethoxy-3-oxoprop-1-enyl]-5-methyl-2,4-dioxopyrimidin-1-yl]oxolan-2-yl]methyl 4-methylbenzoate;[(2S,3R,4R,5R)-4-acetyloxy-3-azido-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl 4-methylbenzoate;[(2S,3R,4R,5R)-3-azido-4-ethoxy-5-[3-[(E)-3-ethoxy-3-oxoprop-1-enyl]-5-methyl-2,4-dioxopyrimidin-1-yl]oxolan-2-yl]methyl 4-methylbenzoate;[(2S,3R,4R,5R)-3-azido-4-ethoxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl 4-methylbenzoate;[(2S,3S,4R,5R)-3-azido-5-[3-[(E)-3-ethoxy-3-oxoprop-1-enyl]-5-methyl-2,4-dioxopyrimidin-1-yl]-4-hydroxyoxolan-2-yl]methyl 4-methylbenzoate;[(2S,3R,4R)-4,5-diacetyloxy-3-azidooxolan-2-yl]methyl 4-methylbenzoate;ethyl prop-2-ynoate;5-methyl-5H-pyrimidine-2,4-dione

[(2S,3R,4R,5R)-4-acetyloxy-3-azido-5-[3-[(E)-3-ethoxy-3-oxoprop-1-enyl]-5-methyl-2,4-dioxopyrimidin-1-yl]oxolan-2-yl]methyl 4-methylbenzoate;[(2S,3R,4R,5R)-4-acetyloxy-3-azido-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl 4-methylbenzoate;[(2S,3R,4R,5R)-3-azido-4-ethoxy-5-[3-[(E)-3-ethoxy-3-oxoprop-1-enyl]-5-methyl-2,4-dioxopyrimidin-1-yl]oxolan-2-yl]methyl 4-methylbenzoate;[(2S,3R,4R,5R)-3-azido-4-ethoxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl 4-methylbenzoate;[(2S,3S,4R,5R)-3-azido-5-[3-[(E)-3-ethoxy-3-oxoprop-1-enyl]-5-methyl-2,4-dioxopyrimidin-1-yl]-4-hydroxyoxolan-2-yl]methyl 4-methylbenzoate;[(2S,3R,4R)-4,5-diacetyloxy-3-azidooxolan-2-yl]methyl 4-methylbenzoate;ethyl prop-2-ynoate;5-methyl-5H-pyrimidine-2,4-dione (PubChem CID 157472981) has the molecular formula C140H156N30O49 and a molecular weight of 3042.95 g/mol. Its IUPAC name is [(2S,3R,4R,5R)-4-acetyloxy-3-azido-5-[3-[(E)-3-ethoxy-3-oxoprop-1-enyl]-5-methyl-2,4-dioxopyrimidin-1-yl]oxolan-2-yl]methyl 4-methylbenzoate;[(2S,3R,4R,5R)-4-acetyloxy-3-azido-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl 4-methylbenzoate;[(2S,3R,4R,5R)-3-azido-4-ethoxy-5-[3-[(E)-3-ethoxy-3-oxoprop-1-enyl]-5-methyl-2,4-dioxopyrimidin-1-yl]oxolan-2-yl]methyl 4-methylbenzoate;[(2S,3R,4R,5R)-3-azido-4-ethoxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl 4-methylbenzoate;[(2S,3S,4R,5R)-3-azido-5-[3-[(E)-3-ethoxy-3-oxoprop-1-enyl]-5-methyl-2,4-dioxopyrimidin-1-yl]-4-hydroxyoxolan-2-yl]methyl 4-methylbenzoate;[(2S,3R,4R)-4,5-diacetyloxy-3-azidooxolan-2-yl]methyl 4-methylbenzoate;ethyl prop-2-ynoate;5-methyl-5H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name[(2S,3R,4R,5R)-4-acetyloxy-3-azido-5-[3-[(E)-3-ethoxy-3-oxoprop-1-enyl]-5-methyl-2,4-dioxopyrimidin-1-yl]oxolan-2-yl]methyl 4-methylbenzoate;[(2S,3R,4R,5R)-4-acetyloxy-3-azido-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl 4-methylbenzoate;[(2S,3R,4R,5R)-3-azido-4-ethoxy-5-[3-[(E)-3-ethoxy-3-oxoprop-1-enyl]-5-methyl-2,4-dioxopyrimidin-1-yl]oxolan-2-yl]methyl 4-methylbenzoate;[(2S,3R,4R,5R)-3-azido-4-ethoxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl 4-methylbenzoate;[(2S,3S,4R,5R)-3-azido-5-[3-[(E)-3-ethoxy-3-oxoprop-1-enyl]-5-methyl-2,4-dioxopyrimidin-1-yl]-4-hydroxyoxolan-2-yl]methyl 4-methylbenzoate;[(2S,3R,4R)-4,5-diacetyloxy-3-azidooxolan-2-yl]methyl 4-methylbenzoate;ethyl prop-2-ynoate;5-methyl-5H-pyrimidine-2,4-dione
PubChem CID157472981
Molecular FormulaC140H156N30O49
Molecular Weight3042.95 g/mol
Exact Mass3041.06
IUPAC Name[(2S,3R,4R,5R)-4-acetyloxy-3-azido-5-[3-[(E)-3-ethoxy-3-oxoprop-1-enyl]-5-methyl-2,4-dioxopyrimidin-1-yl]oxolan-2-yl]methyl 4-methylbenzoate;[(2S,3R,4R,5R)-4-acetyloxy-3-azido-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl 4-methylbenzoate;[(2S,3R,4R,5R)-3-azido-4-ethoxy-5-[3-[(E)-3-ethoxy-3-oxoprop-1-enyl]-5-methyl-2,4-dioxopyrimidin-1-yl]oxolan-2-yl]methyl 4-methylbenzoate;[(2S,3R,4R,5R)-3-azido-4-ethoxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl 4-methylbenzoate;[(2S,3S,4R,5R)-3-azido-5-[3-[(E)-3-ethoxy-3-oxoprop-1-enyl]-5-methyl-2,4-dioxopyrimidin-1-yl]-4-hydroxyoxolan-2-yl]methyl 4-methylbenzoate;[(2S,3R,4R)-4,5-diacetyloxy-3-azidooxolan-2-yl]methyl 4-methylbenzoate;ethyl prop-2-ynoate;5-methyl-5H-pyrimidine-2,4-dione
SMILESC#CC(=O)OCC.CC(=O)OC1O[C@H](COC(=O)c2ccc(C)cc2)[C@@H](N=[N+]=[N-])[C@H]1OC(C)=O.CC(=O)O[C@@H]1[C@H](N=[N+]=[N-])[C@@H](COC(=O)c2ccc(C)cc2)O[C@H]1n1cc(C)c(=O)[nH]c1=O.CC1C=NC(=O)NC1=O.CCOC(=O)/C=C/n1c(=O)c(C)cn([C@@H]2O[C@H](COC(=O)c3ccc(C)cc3)[C@@H](N=[N+]=[N-])[C@H]2O)c1=O.CCOC(=O)/C=C/n1c(=O)c(C)cn([C@@H]2O[C@H](COC(=O)c3ccc(C)cc3)[C@@H](N=[N+]=[N-])[C@H]2OC(C)=O)c1=O.CCOC(=O)/C=C/n1c(=O)c(C)cn([C@@H]2O[C@H](COC(=O)c3ccc(C)cc3)[C@@H](N=[N+]=[N-])[C@H]2OCC)c1=O.CCO[C@@H]1[C@H](N=[N+]=[N-])[C@@H](COC(=O)c2ccc(C)cc2)O[C@H]1n1cc(C)c(=O)[nH]c1=O
InChIInChI=1S/C25H27N5O9.C25H29N5O8.C23H25N5O8.C20H21N5O7.C20H23N5O6.C17H19N3O7.C5H6N2O2.C5H6O2/c1-5-36-19(32)10-11-29-22(33)15(3)12-30(25(29)35)23-21(38-16(4)31)20(27-28-26)18(39-23)13-37-24(34)17-8-6-14(2)7-9-17;1-5-35-19(31)11-12-29-22(32)16(4)13-30(25(29)34)23-21(36-6-2)20(27-28-26)18(38-23)14-37-24(33)17-9-7-15(3)8-10-17;1-4-34-17(29)9-10-27-20(31)14(3)11-28(23(27)33)21-19(30)18(25-26-24)16(36-21)12-35-22(32)15-7-5-13(2)6-8-15;1-10-4-6-13(7-5-10)19(28)30-9-14-15(23-24-21)16(31-12(3)26)18(32-14)25-8-11(2)17(27)22-20(25)29;1-4-29-16-15(23-24-21)14(10-30-19(27)13-7-5-11(2)6-8-13)31-18(16)25-9-12(3)17(26)22-20(25)28;1-9-4-6-12(7-5-9)16(23)24-8-13-14(19-20-18)15(25-10(2)21)17(27-13)26-11(3)22;1-3-2-6-5(9)7-4(3)8;1-3-5(6)7-4-2/h6-12,18,20-21,23H,5,13H2,1-4H3;7-13,18,20-21,23H,5-6,14H2,1-4H3;5-11,16,18-19,21,30H,4,12H2,1-3H3;4-8,14-16,18H,9H2,1-3H3,(H,22,27,29);5-9,14-16,18H,4,10H2,1-3H3,(H,22,26,28);4-7,13-15,17H,8H2,1-3H3;2-3H,1H3,(H,7,8,9);1H,4H2,2H3/b11-10+;12-11+;10-9+;;;;;/t2*18-,20-,21-,23-;16-,18-,19-,21-;2*14-,15-,16-,18-;13-,14-,15-,17?;;/m111111../s1
InChIKeyBVGJHNLLMBWGEZ-UFUMMUDJSA-N
XLogP11.67
TPSA1055.08 Ų
H-Bond Donors4
H-Bond Acceptors63
Rotatable Bonds47
Heavy Atoms219
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003042.95
LogP ≤ 511.67
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1063

Analyze [(2S,3R,4R,5R)-4-acetyloxy-3-azido-5-[3-[(E)-3-ethoxy-3-oxoprop-1-enyl]-5-methyl-2,4-dioxopyrimidin-1-yl]oxolan-2-yl]methyl 4-methylbenzoate;[(2S,3R,4R,5R)-4-acetyloxy-3-azido-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl 4-methylbenzoate;[(2S,3R,4R,5R)-3-azido-4-ethoxy-5-[3-[(E)-3-ethoxy-3-oxoprop-1-enyl]-5-methyl-2,4-dioxopyrimidin-1-yl]oxolan-2-yl]methyl 4-methylbenzoate;[(2S,3R,4R,5R)-3-azido-4-ethoxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl 4-methylbenzoate;[(2S,3S,4R,5R)-3-azido-5-[3-[(E)-3-ethoxy-3-oxoprop-1-enyl]-5-methyl-2,4-dioxopyrimidin-1-yl]-4-hydroxyoxolan-2-yl]methyl 4-methylbenzoate;[(2S,3R,4R)-4,5-diacetyloxy-3-azidooxolan-2-yl]methyl 4-methylbenzoate;ethyl prop-2-ynoate;5-methyl-5H-pyrimidine-2,4-dione with MolForge

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Frequently Asked Questions

What is the IUPAC name of [(2S,3R,4R,5R)-4-acetyloxy-3-azido-5-[3-[(E)-3-ethoxy-3-oxoprop-1-enyl]-5-methyl-2,4-dioxopyrimidin-1-yl]oxolan-2-yl]methyl 4-methylbenzoate;[(2S,3R,4R,5R)-4-acetyloxy-3-azido-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl 4-methylbenzoate;[(2S,3R,4R,5R)-3-azido-4-ethoxy-5-[3-[(E)-3-ethoxy-3-oxoprop-1-enyl]-5-methyl-2,4-dioxopyrimidin-1-yl]oxolan-2-yl]methyl 4-methylbenzoate;[(2S,3R,4R,5R)-3-azido-4-ethoxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl 4-methylbenzoate;[(2S,3S,4R,5R)-3-azido-5-[3-[(E)-3-ethoxy-3-oxoprop-1-enyl]-5-methyl-2,4-dioxopyrimidin-1-yl]-4-hydroxyoxolan-2-yl]methyl 4-methylbenzoate;[(2S,3R,4R)-4,5-diacetyloxy-3-azidooxolan-2-yl]methyl 4-methylbenzoate;ethyl prop-2-ynoate;5-methyl-5H-pyrimidine-2,4-dione?
The IUPAC name of [(2S,3R,4R,5R)-4-acetyloxy-3-azido-5-[3-[(E)-3-ethoxy-3-oxoprop-1-enyl]-5-methyl-2,4-dioxopyrimidin-1-yl]oxolan-2-yl]methyl 4-methylbenzoate;[(2S,3R,4R,5R)-4-acetyloxy-3-azido-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl 4-methylbenzoate;[(2S,3R,4R,5R)-3-azido-4-ethoxy-5-[3-[(E)-3-ethoxy-3-oxoprop-1-enyl]-5-methyl-2,4-dioxopyrimidin-1-yl]oxolan-2-yl]methyl 4-methylbenzoate;[(2S,3R,4R,5R)-3-azido-4-ethoxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl 4-methylbenzoate;[(2S,3S,4R,5R)-3-azido-5-[3-[(E)-3-ethoxy-3-oxoprop-1-enyl]-5-methyl-2,4-dioxopyrimidin-1-yl]-4-hydroxyoxolan-2-yl]methyl 4-methylbenzoate;[(2S,3R,4R)-4,5-diacetyloxy-3-azidooxolan-2-yl]methyl 4-methylbenzoate;ethyl prop-2-ynoate;5-methyl-5H-pyrimidine-2,4-dione (CID 157472981) is [(2S,3R,4R,5R)-4-acetyloxy-3-azido-5-[3-[(E)-3-ethoxy-3-oxoprop-1-enyl]-5-methyl-2,4-dioxopyrimidin-1-yl]oxolan-2-yl]methyl 4-methylbenzoate;[(2S,3R,4R,5R)-4-acetyloxy-3-azido-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl 4-methylbenzoate;[(2S,3R,4R,5R)-3-azido-4-ethoxy-5-[3-[(E)-3-ethoxy-3-oxoprop-1-enyl]-5-methyl-2,4-dioxopyrimidin-1-yl]oxolan-2-yl]methyl 4-methylbenzoate;[(2S,3R,4R,5R)-3-azido-4-ethoxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl 4-methylbenzoate;[(2S,3S,4R,5R)-3-azido-5-[3-[(E)-3-ethoxy-3-oxoprop-1-enyl]-5-methyl-2,4-dioxopyrimidin-1-yl]-4-hydroxyoxolan-2-yl]methyl 4-methylbenzoate;[(2S,3R,4R)-4,5-diacetyloxy-3-azidooxolan-2-yl]methyl 4-methylbenzoate;ethyl prop-2-ynoate;5-methyl-5H-pyrimidine-2,4-dione.
What is the SMILES notation for [(2S,3R,4R,5R)-4-acetyloxy-3-azido-5-[3-[(E)-3-ethoxy-3-oxoprop-1-enyl]-5-methyl-2,4-dioxopyrimidin-1-yl]oxolan-2-yl]methyl 4-methylbenzoate;[(2S,3R,4R,5R)-4-acetyloxy-3-azido-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl 4-methylbenzoate;[(2S,3R,4R,5R)-3-azido-4-ethoxy-5-[3-[(E)-3-ethoxy-3-oxoprop-1-enyl]-5-methyl-2,4-dioxopyrimidin-1-yl]oxolan-2-yl]methyl 4-methylbenzoate;[(2S,3R,4R,5R)-3-azido-4-ethoxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl 4-methylbenzoate;[(2S,3S,4R,5R)-3-azido-5-[3-[(E)-3-ethoxy-3-oxoprop-1-enyl]-5-methyl-2,4-dioxopyrimidin-1-yl]-4-hydroxyoxolan-2-yl]methyl 4-methylbenzoate;[(2S,3R,4R)-4,5-diacetyloxy-3-azidooxolan-2-yl]methyl 4-methylbenzoate;ethyl prop-2-ynoate;5-methyl-5H-pyrimidine-2,4-dione?
The canonical SMILES for [(2S,3R,4R,5R)-4-acetyloxy-3-azido-5-[3-[(E)-3-ethoxy-3-oxoprop-1-enyl]-5-methyl-2,4-dioxopyrimidin-1-yl]oxolan-2-yl]methyl 4-methylbenzoate;[(2S,3R,4R,5R)-4-acetyloxy-3-azido-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl 4-methylbenzoate;[(2S,3R,4R,5R)-3-azido-4-ethoxy-5-[3-[(E)-3-ethoxy-3-oxoprop-1-enyl]-5-methyl-2,4-dioxopyrimidin-1-yl]oxolan-2-yl]methyl 4-methylbenzoate;[(2S,3R,4R,5R)-3-azido-4-ethoxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl 4-methylbenzoate;[(2S,3S,4R,5R)-3-azido-5-[3-[(E)-3-ethoxy-3-oxoprop-1-enyl]-5-methyl-2,4-dioxopyrimidin-1-yl]-4-hydroxyoxolan-2-yl]methyl 4-methylbenzoate;[(2S,3R,4R)-4,5-diacetyloxy-3-azidooxolan-2-yl]methyl 4-methylbenzoate;ethyl prop-2-ynoate;5-methyl-5H-pyrimidine-2,4-dione is C#CC(=O)OCC.CC(=O)OC1O[C@H](COC(=O)c2ccc(C)cc2)[C@@H](N=[N+]=[N-])[C@H]1OC(C)=O.CC(=O)O[C@@H]1[C@H](N=[N+]=[N-])[C@@H](COC(=O)c2ccc(C)cc2)O[C@H]1n1cc(C)c(=O)[nH]c1=O.CC1C=NC(=O)NC1=O.CCOC(=O)/C=C/n1c(=O)c(C)cn([C@@H]2O[C@H](COC(=O)c3ccc(C)cc3)[C@@H](N=[N+]=[N-])[C@H]2O)c1=O.CCOC(=O)/C=C/n1c(=O)c(C)cn([C@@H]2O[C@H](COC(=O)c3ccc(C)cc3)[C@@H](N=[N+]=[N-])[C@H]2OC(C)=O)c1=O.CCOC(=O)/C=C/n1c(=O)c(C)cn([C@@H]2O[C@H](COC(=O)c3ccc(C)cc3)[C@@H](N=[N+]=[N-])[C@H]2OCC)c1=O.CCO[C@@H]1[C@H](N=[N+]=[N-])[C@@H](COC(=O)c2ccc(C)cc2)O[C@H]1n1cc(C)c(=O)[nH]c1=O.
What is the InChIKey of [(2S,3R,4R,5R)-4-acetyloxy-3-azido-5-[3-[(E)-3-ethoxy-3-oxoprop-1-enyl]-5-methyl-2,4-dioxopyrimidin-1-yl]oxolan-2-yl]methyl 4-methylbenzoate;[(2S,3R,4R,5R)-4-acetyloxy-3-azido-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl 4-methylbenzoate;[(2S,3R,4R,5R)-3-azido-4-ethoxy-5-[3-[(E)-3-ethoxy-3-oxoprop-1-enyl]-5-methyl-2,4-dioxopyrimidin-1-yl]oxolan-2-yl]methyl 4-methylbenzoate;[(2S,3R,4R,5R)-3-azido-4-ethoxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl 4-methylbenzoate;[(2S,3S,4R,5R)-3-azido-5-[3-[(E)-3-ethoxy-3-oxoprop-1-enyl]-5-methyl-2,4-dioxopyrimidin-1-yl]-4-hydroxyoxolan-2-yl]methyl 4-methylbenzoate;[(2S,3R,4R)-4,5-diacetyloxy-3-azidooxolan-2-yl]methyl 4-methylbenzoate;ethyl prop-2-ynoate;5-methyl-5H-pyrimidine-2,4-dione?
The InChIKey is BVGJHNLLMBWGEZ-UFUMMUDJSA-N. The full InChI is InChI=1S/C25H27N5O9.C25H29N5O8.C23H25N5O8.C20H21N5O7.C20H23N5O6.C17H19N3O7.C5H6N2O2.C5H6O2/c1-5-36-19(32)10-11-29-22(33)15(3)12-30(25(29)35)23-21(38-16(4)31)20(27-28-26)18(39-23)13-37-24(34)17-8-6-14(2)7-9-17;1-5-35-19(31)11-12-29-22(32)16(4)13-30(25(29)34)23-21(36-6-2)20(27-28-26)18(38-23)14-37-24(33)17-9-7-15(3)8-10-17;1-4-34-17(29)9-10-27-20(31)14(3)11-28(23(27)33)21-19(30)18(25-26-24)16(36-21)12-35-22(32)15-7-5-13(2)6-8-15;1-10-4-6-13(7-5-10)19(28)30-9-14-15(23-24-21)16(31-12(3)26)18(32-14)25-8-11(2)17(27)22-20(25)29;1-4-29-16-15(23-24-21)14(10-30-19(27)13-7-5-11(2)6-8-13)31-18(16)25-9-12(3)17(26)22-20(25)28;1-9-4-6-12(7-5-9)16(23)24-8-13-14(19-20-18)15(25-10(2)21)17(27-13)26-11(3)22;1-3-2-6-5(9)7-4(3)8;1-3-5(6)7-4-2/h6-12,18,20-21,23H,5,13H2,1-4H3;7-13,18,20-21,23H,5-6,14H2,1-4H3;5-11,16,18-19,21,30H,4,12H2,1-3H3;4-8,14-16,18H,9H2,1-3H3,(H,22,27,29);5-9,14-16,18H,4,10H2,1-3H3,(H,22,26,28);4-7,13-15,17H,8H2,1-3H3;2-3H,1H3,(H,7,8,9);1H,4H2,2H3/b11-10+;12-11+;10-9+;;;;;/t2*18-,20-,21-,23-;16-,18-,19-,21-;2*14-,15-,16-,18-;13-,14-,15-,17?;;/m111111../s1.
What are the key properties of [(2S,3R,4R,5R)-4-acetyloxy-3-azido-5-[3-[(E)-3-ethoxy-3-oxoprop-1-enyl]-5-methyl-2,4-dioxopyrimidin-1-yl]oxolan-2-yl]methyl 4-methylbenzoate;[(2S,3R,4R,5R)-4-acetyloxy-3-azido-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl 4-methylbenzoate;[(2S,3R,4R,5R)-3-azido-4-ethoxy-5-[3-[(E)-3-ethoxy-3-oxoprop-1-enyl]-5-methyl-2,4-dioxopyrimidin-1-yl]oxolan-2-yl]methyl 4-methylbenzoate;[(2S,3R,4R,5R)-3-azido-4-ethoxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl 4-methylbenzoate;[(2S,3S,4R,5R)-3-azido-5-[3-[(E)-3-ethoxy-3-oxoprop-1-enyl]-5-methyl-2,4-dioxopyrimidin-1-yl]-4-hydroxyoxolan-2-yl]methyl 4-methylbenzoate;[(2S,3R,4R)-4,5-diacetyloxy-3-azidooxolan-2-yl]methyl 4-methylbenzoate;ethyl prop-2-ynoate;5-methyl-5H-pyrimidine-2,4-dione?
[(2S,3R,4R,5R)-4-acetyloxy-3-azido-5-[3-[(E)-3-ethoxy-3-oxoprop-1-enyl]-5-methyl-2,4-dioxopyrimidin-1-yl]oxolan-2-yl]methyl 4-methylbenzoate;[(2S,3R,4R,5R)-4-acetyloxy-3-azido-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl 4-methylbenzoate;[(2S,3R,4R,5R)-3-azido-4-ethoxy-5-[3-[(E)-3-ethoxy-3-oxoprop-1-enyl]-5-methyl-2,4-dioxopyrimidin-1-yl]oxolan-2-yl]methyl 4-methylbenzoate;[(2S,3R,4R,5R)-3-azido-4-ethoxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl 4-methylbenzoate;[(2S,3S,4R,5R)-3-azido-5-[3-[(E)-3-ethoxy-3-oxoprop-1-enyl]-5-methyl-2,4-dioxopyrimidin-1-yl]-4-hydroxyoxolan-2-yl]methyl 4-methylbenzoate;[(2S,3R,4R)-4,5-diacetyloxy-3-azidooxolan-2-yl]methyl 4-methylbenzoate;ethyl prop-2-ynoate;5-methyl-5H-pyrimidine-2,4-dione has a molecular weight of 3042.95 g/mol, XLogP of 11.67, 47 rotatable bonds, 4 hydrogen bond donors, and 63 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,3R,4R,5R)-4-acetyloxy-3-azido-5-[3-[(E)-3-ethoxy-3-oxoprop-1-enyl]-5-methyl-2,4-dioxopyrimidin-1-yl]oxolan-2-yl]methyl 4-methylbenzoate;[(2S,3R,4R,5R)-4-acetyloxy-3-azido-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl 4-methylbenzoate;[(2S,3R,4R,5R)-3-azido-4-ethoxy-5-[3-[(E)-3-ethoxy-3-oxoprop-1-enyl]-5-methyl-2,4-dioxopyrimidin-1-yl]oxolan-2-yl]methyl 4-methylbenzoate;[(2S,3R,4R,5R)-3-azido-4-ethoxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl 4-methylbenzoate;[(2S,3S,4R,5R)-3-azido-5-[3-[(E)-3-ethoxy-3-oxoprop-1-enyl]-5-methyl-2,4-dioxopyrimidin-1-yl]-4-hydroxyoxolan-2-yl]methyl 4-methylbenzoate;[(2S,3R,4R)-4,5-diacetyloxy-3-azidooxolan-2-yl]methyl 4-methylbenzoate;ethyl prop-2-ynoate;5-methyl-5H-pyrimidine-2,4-dione is sourced from PubChem (CID 157472981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).