1-[(2R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3-[(2-phenyl-1,3-oxazol-5-yl)methyl]pyrimidine-2,4-dione;1-[(2R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3-[(5-phenyl-1,3-oxazol-2-yl)methyl]pyrimidine-2,4-dione;1-[(2R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3-[(3-phenylphenyl)methyl]pyrimidine-2,4-dione;1-[(2R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3-[(2-phenyl-1,3-thiazol-5-yl)methyl]pyrimidine-2,4-dione;1-[(2R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3-[(5-phenyl-1,3-thiazol-2-yl)methyl]pyrimidine-2,4-dione;1-[(2R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3-[(5-phenylthiophen-2-yl)methyl]pyrimidine-2,4-dione

C118H118N16O38S3 — CID 162113364

IUPAC1-[(2R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3-[(2-phenyl-1,3-oxazol-5-yl)methyl]pyrimidine-2,4-dione;1-[(2R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3-[(5-phenyl-1,3-oxazol-2-yl)methyl]pyrimidine-2,4-dione;1-[(2R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3-[(3-phenylphenyl)methyl]pyrimidine-2,4-dione;1-[(2R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3-[(2-phenyl-1,3-thiazol-5-yl)methyl]pyrimidine-2,4-dione;1-[(2R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3-[(5-phenyl-1,3-thiazol-2-yl)methyl]pyrimidine-2,4-dione;1-[(2R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3-[(5-phenylthiophen-2-yl)methyl]pyrimidine-2,4-dione
SMILESO=c1ccn([C@@H]2O[C@H](CO)C(O)C2O)c(=O)n1Cc1ccc(-c2ccccc2)s1.O=c1ccn([C@@H]2O[C@H](CO)C(O)C2O)c(=O)n1Cc1cccc(-c2ccccc2)c1.O=c1ccn([C@@H]2O[C@H](CO)C(O)C2O)c(=O)n1Cc1cnc(-c2ccccc2)o1.O=c1ccn([C@@H]2O[C@H](CO)C(O)C2O)c(=O)n1Cc1cnc(-c2ccccc2)s1.O=c1ccn([C@@H]2O[C@H](CO)C(O)C2O)c(=O)n1Cc1ncc(-c2ccccc2)o1.O=c1ccn([C@@H]2O[C@H](CO)C(O)C2O)c(=O)n1Cc1ncc(-c2ccccc2)s1
InChIInChI=1S/C22H22N2O6.C20H20N2O6S.2C19H19N3O7.2C19H19N3O6S/c25-13-17-19(27)20(28)21(30-17)23-10-9-18(26)24(22(23)29)12-14-5-4-8-16(11-14)15-6-2-1-3-7-15;23-11-14-17(25)18(26)19(28-14)21-9-8-16(24)22(20(21)27)10-13-6-7-15(29-13)12-4-2-1-3-5-12;23-10-13-16(25)17(26)18(29-13)21-7-6-15(24)22(19(21)27)9-14-20-8-12(28-14)11-4-2-1-3-5-11;23-10-13-15(25)16(26)18(29-13)21-7-6-14(24)22(19(21)27)9-12-8-20-17(28-12)11-4-2-1-3-5-11;23-10-12-16(25)17(26)18(28-12)21-7-6-15(24)22(19(21)27)9-14-20-8-13(29-14)11-4-2-1-3-5-11;23-10-13-15(25)16(26)18(28-13)21-7-6-14(24)22(19(21)27)9-12-8-20-17(29-12)11-4-2-1-3-5-11/h1-11,17,19-21,25,27-28H,12-13H2;1-9,14,17-19,23,25-26H,10-11H2;1-8,13,16-18,23,25-26H,9-10H2;1-8,13,15-16,18,23,25-26H,9-10H2;1-8,12,16-18,23,25-26H,9-10H2;1-8,13,15-16,18,23,25-26H,9-10H2/t17-,19?,20?,21-;14-,17?,18?,19-;13-,16?,17?,18-;13-,15?,16?,18-;12-,16?,17?,18-;13-,15?,16?,18-/m111111/s1
InChIKeyZGLFHDNPCCDCFM-LRJXOBNCSA-N
MW2464.52 g/mol
LogP-1.03
Rot. Bonds30

About 1-[(2R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3-[(2-phenyl-1,3-oxazol-5-yl)methyl]pyrimidine-2,4-dione;1-[(2R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3-[(5-phenyl-1,3-oxazol-2-yl)methyl]pyrimidine-2,4-dione;1-[(2R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3-[(3-phenylphenyl)methyl]pyrimidine-2,4-dione;1-[(2R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3-[(2-phenyl-1,3-thiazol-5-yl)methyl]pyrimidine-2,4-dione;1-[(2R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3-[(5-phenyl-1,3-thiazol-2-yl)methyl]pyrimidine-2,4-dione;1-[(2R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3-[(5-phenylthiophen-2-yl)methyl]pyrimidine-2,4-dione

1-[(2R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3-[(2-phenyl-1,3-oxazol-5-yl)methyl]pyrimidine-2,4-dione;1-[(2R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3-[(5-phenyl-1,3-oxazol-2-yl)methyl]pyrimidine-2,4-dione;1-[(2R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3-[(3-phenylphenyl)methyl]pyrimidine-2,4-dione;1-[(2R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3-[(2-phenyl-1,3-thiazol-5-yl)methyl]pyrimidine-2,4-dione;1-[(2R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3-[(5-phenyl-1,3-thiazol-2-yl)methyl]pyrimidine-2,4-dione;1-[(2R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3-[(5-phenylthiophen-2-yl)methyl]pyrimidine-2,4-dione (PubChem CID 162113364) has the molecular formula C118H118N16O38S3 and a molecular weight of 2464.52 g/mol. Its IUPAC name is 1-[(2R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3-[(2-phenyl-1,3-oxazol-5-yl)methyl]pyrimidine-2,4-dione;1-[(2R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3-[(5-phenyl-1,3-oxazol-2-yl)methyl]pyrimidine-2,4-dione;1-[(2R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3-[(3-phenylphenyl)methyl]pyrimidine-2,4-dione;1-[(2R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3-[(2-phenyl-1,3-thiazol-5-yl)methyl]pyrimidine-2,4-dione;1-[(2R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3-[(5-phenyl-1,3-thiazol-2-yl)methyl]pyrimidine-2,4-dione;1-[(2R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3-[(5-phenylthiophen-2-yl)methyl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name1-[(2R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3-[(2-phenyl-1,3-oxazol-5-yl)methyl]pyrimidine-2,4-dione;1-[(2R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3-[(5-phenyl-1,3-oxazol-2-yl)methyl]pyrimidine-2,4-dione;1-[(2R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3-[(3-phenylphenyl)methyl]pyrimidine-2,4-dione;1-[(2R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3-[(2-phenyl-1,3-thiazol-5-yl)methyl]pyrimidine-2,4-dione;1-[(2R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3-[(5-phenyl-1,3-thiazol-2-yl)methyl]pyrimidine-2,4-dione;1-[(2R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3-[(5-phenylthiophen-2-yl)methyl]pyrimidine-2,4-dione
PubChem CID162113364
Molecular FormulaC118H118N16O38S3
Molecular Weight2464.52 g/mol
Exact Mass2462.70
IUPAC Name1-[(2R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3-[(2-phenyl-1,3-oxazol-5-yl)methyl]pyrimidine-2,4-dione;1-[(2R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3-[(5-phenyl-1,3-oxazol-2-yl)methyl]pyrimidine-2,4-dione;1-[(2R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3-[(3-phenylphenyl)methyl]pyrimidine-2,4-dione;1-[(2R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3-[(2-phenyl-1,3-thiazol-5-yl)methyl]pyrimidine-2,4-dione;1-[(2R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3-[(5-phenyl-1,3-thiazol-2-yl)methyl]pyrimidine-2,4-dione;1-[(2R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3-[(5-phenylthiophen-2-yl)methyl]pyrimidine-2,4-dione
SMILESO=c1ccn([C@@H]2O[C@H](CO)C(O)C2O)c(=O)n1Cc1ccc(-c2ccccc2)s1.O=c1ccn([C@@H]2O[C@H](CO)C(O)C2O)c(=O)n1Cc1cccc(-c2ccccc2)c1.O=c1ccn([C@@H]2O[C@H](CO)C(O)C2O)c(=O)n1Cc1cnc(-c2ccccc2)o1.O=c1ccn([C@@H]2O[C@H](CO)C(O)C2O)c(=O)n1Cc1cnc(-c2ccccc2)s1.O=c1ccn([C@@H]2O[C@H](CO)C(O)C2O)c(=O)n1Cc1ncc(-c2ccccc2)o1.O=c1ccn([C@@H]2O[C@H](CO)C(O)C2O)c(=O)n1Cc1ncc(-c2ccccc2)s1
InChIInChI=1S/C22H22N2O6.C20H20N2O6S.2C19H19N3O7.2C19H19N3O6S/c25-13-17-19(27)20(28)21(30-17)23-10-9-18(26)24(22(23)29)12-14-5-4-8-16(11-14)15-6-2-1-3-7-15;23-11-14-17(25)18(26)19(28-14)21-9-8-16(24)22(20(21)27)10-13-6-7-15(29-13)12-4-2-1-3-5-12;23-10-13-16(25)17(26)18(29-13)21-7-6-15(24)22(19(21)27)9-14-20-8-12(28-14)11-4-2-1-3-5-11;23-10-13-15(25)16(26)18(29-13)21-7-6-14(24)22(19(21)27)9-12-8-20-17(28-12)11-4-2-1-3-5-11;23-10-12-16(25)17(26)18(28-12)21-7-6-15(24)22(19(21)27)9-14-20-8-13(29-14)11-4-2-1-3-5-11;23-10-13-15(25)16(26)18(28-13)21-7-6-14(24)22(19(21)27)9-12-8-20-17(29-12)11-4-2-1-3-5-11/h1-11,17,19-21,25,27-28H,12-13H2;1-9,14,17-19,23,25-26H,10-11H2;1-8,13,16-18,23,25-26H,9-10H2;1-8,13,15-16,18,23,25-26H,9-10H2;1-8,12,16-18,23,25-26H,9-10H2;1-8,13,15-16,18,23,25-26H,9-10H2/t17-,19?,20?,21-;14-,17?,18?,19-;13-,16?,17?,18-;13-,15?,16?,18-;12-,16?,17?,18-;13-,15?,16?,18-/m111111/s1
InChIKeyZGLFHDNPCCDCFM-LRJXOBNCSA-N
XLogP-1.03
TPSA761.36 Ų
H-Bond Donors18
H-Bond Acceptors57
Rotatable Bonds30
Heavy Atoms175
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002464.52
LogP ≤ 5-1.03
H-Bond Donors ≤ 518
H-Bond Acceptors ≤ 1057

Analyze 1-[(2R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3-[(2-phenyl-1,3-oxazol-5-yl)methyl]pyrimidine-2,4-dione;1-[(2R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3-[(5-phenyl-1,3-oxazol-2-yl)methyl]pyrimidine-2,4-dione;1-[(2R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3-[(3-phenylphenyl)methyl]pyrimidine-2,4-dione;1-[(2R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3-[(2-phenyl-1,3-thiazol-5-yl)methyl]pyrimidine-2,4-dione;1-[(2R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3-[(5-phenyl-1,3-thiazol-2-yl)methyl]pyrimidine-2,4-dione;1-[(2R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3-[(5-phenylthiophen-2-yl)methyl]pyrimidine-2,4-dione with MolForge

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Related Compounds

[5-[2,4-dioxo-3-[(5-phenyl-1,3-oxazol-2-yl)methyl]pyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphite
CID 142312231
1-[3,4-dihydroxy-5-(2-hydroxyethyl)oxolan-2-yl]-3-[(2-phenyl-1,3-oxazol-5-yl)methyl]pyrimidine-2,4-dione;phosphenous acid;phosphinous acid
CID 142312185
1-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3-[(5-phenylfuran-2-yl)methyl]pyrimidine-2,4-dione
CID 134383848
3-benzyl-1-[(3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
CID 46875386
1-[(3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3-[(3-methylphenyl)methyl]pyrimidine-2,4-dione
CID 46875385
[[5-[2,4-dioxo-3-[(3-phenylphenyl)methyl]pyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphanyl] dihydrogen phosphate
CID 142312309
1-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3-[[4-phenyl-5-(trifluoromethyl)-2-pyridinyl]methyl]pyrimidine-2,4-dione
CID 134383899
1-[(2R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3-[(6-phenyl-2-pyridinyl)methyl]pyrimidine-2,4-dione
CID 142312351
butane;1-[3,4-dihydroxy-5-(2-hydroxyethyl)oxolan-2-yl]-3-[(3-phenylphenyl)methyl]pyrimidine-2,4-dione;phosphenous acid;phosphinous acid
CID 142312213
1-[(2R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3-(2-phenylethyl)pyrimidine-2,4-dione
CID 154007050
1-[3,4-dihydroxy-5-(2-hydroxyethyl)oxolan-2-yl]-3-[(5-phenylfuran-2-yl)methyl]pyrimidine-2,4-dione
CID 142312462
3-[[4-(4-aminophenyl)-2-pyridinyl]methyl]-1-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
CID 134383929

Frequently Asked Questions

What is the IUPAC name of 1-[(2R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3-[(2-phenyl-1,3-oxazol-5-yl)methyl]pyrimidine-2,4-dione;1-[(2R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3-[(5-phenyl-1,3-oxazol-2-yl)methyl]pyrimidine-2,4-dione;1-[(2R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3-[(3-phenylphenyl)methyl]pyrimidine-2,4-dione;1-[(2R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3-[(2-phenyl-1,3-thiazol-5-yl)methyl]pyrimidine-2,4-dione;1-[(2R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3-[(5-phenyl-1,3-thiazol-2-yl)methyl]pyrimidine-2,4-dione;1-[(2R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3-[(5-phenylthiophen-2-yl)methyl]pyrimidine-2,4-dione?
The IUPAC name of 1-[(2R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3-[(2-phenyl-1,3-oxazol-5-yl)methyl]pyrimidine-2,4-dione;1-[(2R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3-[(5-phenyl-1,3-oxazol-2-yl)methyl]pyrimidine-2,4-dione;1-[(2R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3-[(3-phenylphenyl)methyl]pyrimidine-2,4-dione;1-[(2R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3-[(2-phenyl-1,3-thiazol-5-yl)methyl]pyrimidine-2,4-dione;1-[(2R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3-[(5-phenyl-1,3-thiazol-2-yl)methyl]pyrimidine-2,4-dione;1-[(2R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3-[(5-phenylthiophen-2-yl)methyl]pyrimidine-2,4-dione (CID 162113364) is 1-[(2R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3-[(2-phenyl-1,3-oxazol-5-yl)methyl]pyrimidine-2,4-dione;1-[(2R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3-[(5-phenyl-1,3-oxazol-2-yl)methyl]pyrimidine-2,4-dione;1-[(2R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3-[(3-phenylphenyl)methyl]pyrimidine-2,4-dione;1-[(2R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3-[(2-phenyl-1,3-thiazol-5-yl)methyl]pyrimidine-2,4-dione;1-[(2R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3-[(5-phenyl-1,3-thiazol-2-yl)methyl]pyrimidine-2,4-dione;1-[(2R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3-[(5-phenylthiophen-2-yl)methyl]pyrimidine-2,4-dione.
What is the SMILES notation for 1-[(2R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3-[(2-phenyl-1,3-oxazol-5-yl)methyl]pyrimidine-2,4-dione;1-[(2R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3-[(5-phenyl-1,3-oxazol-2-yl)methyl]pyrimidine-2,4-dione;1-[(2R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3-[(3-phenylphenyl)methyl]pyrimidine-2,4-dione;1-[(2R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3-[(2-phenyl-1,3-thiazol-5-yl)methyl]pyrimidine-2,4-dione;1-[(2R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3-[(5-phenyl-1,3-thiazol-2-yl)methyl]pyrimidine-2,4-dione;1-[(2R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3-[(5-phenylthiophen-2-yl)methyl]pyrimidine-2,4-dione?
The canonical SMILES for 1-[(2R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3-[(2-phenyl-1,3-oxazol-5-yl)methyl]pyrimidine-2,4-dione;1-[(2R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3-[(5-phenyl-1,3-oxazol-2-yl)methyl]pyrimidine-2,4-dione;1-[(2R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3-[(3-phenylphenyl)methyl]pyrimidine-2,4-dione;1-[(2R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3-[(2-phenyl-1,3-thiazol-5-yl)methyl]pyrimidine-2,4-dione;1-[(2R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3-[(5-phenyl-1,3-thiazol-2-yl)methyl]pyrimidine-2,4-dione;1-[(2R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3-[(5-phenylthiophen-2-yl)methyl]pyrimidine-2,4-dione is O=c1ccn([C@@H]2O[C@H](CO)C(O)C2O)c(=O)n1Cc1ccc(-c2ccccc2)s1.O=c1ccn([C@@H]2O[C@H](CO)C(O)C2O)c(=O)n1Cc1cccc(-c2ccccc2)c1.O=c1ccn([C@@H]2O[C@H](CO)C(O)C2O)c(=O)n1Cc1cnc(-c2ccccc2)o1.O=c1ccn([C@@H]2O[C@H](CO)C(O)C2O)c(=O)n1Cc1cnc(-c2ccccc2)s1.O=c1ccn([C@@H]2O[C@H](CO)C(O)C2O)c(=O)n1Cc1ncc(-c2ccccc2)o1.O=c1ccn([C@@H]2O[C@H](CO)C(O)C2O)c(=O)n1Cc1ncc(-c2ccccc2)s1.
What is the InChIKey of 1-[(2R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3-[(2-phenyl-1,3-oxazol-5-yl)methyl]pyrimidine-2,4-dione;1-[(2R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3-[(5-phenyl-1,3-oxazol-2-yl)methyl]pyrimidine-2,4-dione;1-[(2R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3-[(3-phenylphenyl)methyl]pyrimidine-2,4-dione;1-[(2R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3-[(2-phenyl-1,3-thiazol-5-yl)methyl]pyrimidine-2,4-dione;1-[(2R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3-[(5-phenyl-1,3-thiazol-2-yl)methyl]pyrimidine-2,4-dione;1-[(2R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3-[(5-phenylthiophen-2-yl)methyl]pyrimidine-2,4-dione?
The InChIKey is ZGLFHDNPCCDCFM-LRJXOBNCSA-N. The full InChI is InChI=1S/C22H22N2O6.C20H20N2O6S.2C19H19N3O7.2C19H19N3O6S/c25-13-17-19(27)20(28)21(30-17)23-10-9-18(26)24(22(23)29)12-14-5-4-8-16(11-14)15-6-2-1-3-7-15;23-11-14-17(25)18(26)19(28-14)21-9-8-16(24)22(20(21)27)10-13-6-7-15(29-13)12-4-2-1-3-5-12;23-10-13-16(25)17(26)18(29-13)21-7-6-15(24)22(19(21)27)9-14-20-8-12(28-14)11-4-2-1-3-5-11;23-10-13-15(25)16(26)18(29-13)21-7-6-14(24)22(19(21)27)9-12-8-20-17(28-12)11-4-2-1-3-5-11;23-10-12-16(25)17(26)18(28-12)21-7-6-15(24)22(19(21)27)9-14-20-8-13(29-14)11-4-2-1-3-5-11;23-10-13-15(25)16(26)18(28-13)21-7-6-14(24)22(19(21)27)9-12-8-20-17(29-12)11-4-2-1-3-5-11/h1-11,17,19-21,25,27-28H,12-13H2;1-9,14,17-19,23,25-26H,10-11H2;1-8,13,16-18,23,25-26H,9-10H2;1-8,13,15-16,18,23,25-26H,9-10H2;1-8,12,16-18,23,25-26H,9-10H2;1-8,13,15-16,18,23,25-26H,9-10H2/t17-,19?,20?,21-;14-,17?,18?,19-;13-,16?,17?,18-;13-,15?,16?,18-;12-,16?,17?,18-;13-,15?,16?,18-/m111111/s1.
What are the key properties of 1-[(2R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3-[(2-phenyl-1,3-oxazol-5-yl)methyl]pyrimidine-2,4-dione;1-[(2R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3-[(5-phenyl-1,3-oxazol-2-yl)methyl]pyrimidine-2,4-dione;1-[(2R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3-[(3-phenylphenyl)methyl]pyrimidine-2,4-dione;1-[(2R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3-[(2-phenyl-1,3-thiazol-5-yl)methyl]pyrimidine-2,4-dione;1-[(2R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3-[(5-phenyl-1,3-thiazol-2-yl)methyl]pyrimidine-2,4-dione;1-[(2R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3-[(5-phenylthiophen-2-yl)methyl]pyrimidine-2,4-dione?
1-[(2R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3-[(2-phenyl-1,3-oxazol-5-yl)methyl]pyrimidine-2,4-dione;1-[(2R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3-[(5-phenyl-1,3-oxazol-2-yl)methyl]pyrimidine-2,4-dione;1-[(2R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3-[(3-phenylphenyl)methyl]pyrimidine-2,4-dione;1-[(2R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3-[(2-phenyl-1,3-thiazol-5-yl)methyl]pyrimidine-2,4-dione;1-[(2R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3-[(5-phenyl-1,3-thiazol-2-yl)methyl]pyrimidine-2,4-dione;1-[(2R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3-[(5-phenylthiophen-2-yl)methyl]pyrimidine-2,4-dione has a molecular weight of 2464.52 g/mol, XLogP of -1.03, 30 rotatable bonds, 18 hydrogen bond donors, and 57 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3-[(2-phenyl-1,3-oxazol-5-yl)methyl]pyrimidine-2,4-dione;1-[(2R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3-[(5-phenyl-1,3-oxazol-2-yl)methyl]pyrimidine-2,4-dione;1-[(2R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3-[(3-phenylphenyl)methyl]pyrimidine-2,4-dione;1-[(2R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3-[(2-phenyl-1,3-thiazol-5-yl)methyl]pyrimidine-2,4-dione;1-[(2R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3-[(5-phenyl-1,3-thiazol-2-yl)methyl]pyrimidine-2,4-dione;1-[(2R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3-[(5-phenylthiophen-2-yl)methyl]pyrimidine-2,4-dione is sourced from PubChem (CID 162113364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).