[(2R,3R,4R,5R)-5-deuterio-3,4-bis(3,3-dimethylbutanoyloxy)-5-[4-(hydroxyamino)-2-oxopyrimidin-1-yl]oxolan-2-yl]methyl 3,3-dimethylbutanoate;[(2R,3R,4R,5R)-5-deuterio-3,4-bis(2,2-dimethylpropanoyloxy)-5-[4-(hydroxyamino)-2-oxopyrimidin-1-yl]oxolan-2-yl]methyl 2,2-dimethylpropanoate;[(2R,3R,4R,5R)-5-deuterio-5-[4-(hydroxyamino)-2-oxopyrimidin-1-yl]-3,4-bis(2-methylpropanoyloxy)oxolan-2-yl]methyl 2-methylpropanoate;[(2R,3R,4R,5R)-5-deuterio-5-[4-(hydroxyamino)-2-oxopyrimidin-1-yl]-3,4-bis(2-propylpentanoyloxy)oxolan-2-yl]methyl 2-propylpentanoate

C105H166N12O36 — CID 157278169

About [(2R,3R,4R,5R)-5-deuterio-3,4-bis(3,3-dimethylbutanoyloxy)-5-[4-(hydroxyamino)-2-oxopyrimidin-1-yl]oxolan-2-yl]methyl 3,3-dimethylbutanoate;[(2R,3R,4R,5R)-5-deuterio-3,4-bis(2,2-dimethylpropanoyloxy)-5-[4-(hydroxyamino)-2-oxopyrimidin-1-yl]oxolan-2-yl]methyl 2,2-dimethylpropanoate;[(2R,3R,4R,5R)-5-deuterio-5-[4-(hydroxyamino)-2-oxopyrimidin-1-yl]-3,4-bis(2-methylpropanoyloxy)oxolan-2-yl]methyl 2-methylpropanoate;[(2R,3R,4R,5R)-5-deuterio-5-[4-(hydroxyamino)-2-oxopyrimidin-1-yl]-3,4-bis(2-propylpentanoyloxy)oxolan-2-yl]methyl 2-propylpentanoate

[(2R,3R,4R,5R)-5-deuterio-3,4-bis(3,3-dimethylbutanoyloxy)-5-[4-(hydroxyamino)-2-oxopyrimidin-1-yl]oxolan-2-yl]methyl 3,3-dimethylbutanoate;[(2R,3R,4R,5R)-5-deuterio-3,4-bis(2,2-dimethylpropanoyloxy)-5-[4-(hydroxyamino)-2-oxopyrimidin-1-yl]oxolan-2-yl]methyl 2,2-dimethylpropanoate;[(2R,3R,4R,5R)-5-deuterio-5-[4-(hydroxyamino)-2-oxopyrimidin-1-yl]-3,4-bis(2-methylpropanoyloxy)oxolan-2-yl]methyl 2-methylpropanoate;[(2R,3R,4R,5R)-5-deuterio-5-[4-(hydroxyamino)-2-oxopyrimidin-1-yl]-3,4-bis(2-propylpentanoyloxy)oxolan-2-yl]methyl 2-propylpentanoate (PubChem CID 157278169) has the molecular formula C105H166N12O36 and a molecular weight of 2176.56 g/mol. Its IUPAC name is [(2R,3R,4R,5R)-5-deuterio-3,4-bis(3,3-dimethylbutanoyloxy)-5-[4-(hydroxyamino)-2-oxopyrimidin-1-yl]oxolan-2-yl]methyl 3,3-dimethylbutanoate;[(2R,3R,4R,5R)-5-deuterio-3,4-bis(2,2-dimethylpropanoyloxy)-5-[4-(hydroxyamino)-2-oxopyrimidin-1-yl]oxolan-2-yl]methyl 2,2-dimethylpropanoate;[(2R,3R,4R,5R)-5-deuterio-5-[4-(hydroxyamino)-2-oxopyrimidin-1-yl]-3,4-bis(2-methylpropanoyloxy)oxolan-2-yl]methyl 2-methylpropanoate;[(2R,3R,4R,5R)-5-deuterio-5-[4-(hydroxyamino)-2-oxopyrimidin-1-yl]-3,4-bis(2-propylpentanoyloxy)oxolan-2-yl]methyl 2-propylpentanoate.

Molecular Properties

• Compound Name: [(2R,3R,4R,5R)-5-deuterio-3,4-bis(3,3-dimethylbutanoyloxy)-5-[4-(hydroxyamino)-2-oxopyrimidin-1-yl]oxolan-2-yl]methyl 3,3-dimethylbutanoate;[(2R,3R,4R,5R)-5-deuterio-3,4-bis(2,2-dimethylpropanoyloxy)-5-[4-(hydroxyamino)-2-oxopyrimidin-1-yl]oxolan-2-yl]methyl 2,2-dimethylpropanoate;[(2R,3R,4R,5R)-5-deuterio-5-[4-(hydroxyamino)-2-oxopyrimidin-1-yl]-3,4-bis(2-methylpropanoyloxy)oxolan-2-yl]methyl 2-methylpropanoate;[(2R,3R,4R,5R)-5-deuterio-5-[4-(hydroxyamino)-2-oxopyrimidin-1-yl]-3,4-bis(2-propylpentanoyloxy)oxolan-2-yl]methyl 2-propylpentanoate
• PubChem CID: 157278169
• Molecular Formula: C105H166N12O36
• Molecular Weight: 2176.56 g/mol
• Exact Mass: 2175.18
• IUPAC Name: [(2R,3R,4R,5R)-5-deuterio-3,4-bis(3,3-dimethylbutanoyloxy)-5-[4-(hydroxyamino)-2-oxopyrimidin-1-yl]oxolan-2-yl]methyl 3,3-dimethylbutanoate;[(2R,3R,4R,5R)-5-deuterio-3,4-bis(2,2-dimethylpropanoyloxy)-5-[4-(hydroxyamino)-2-oxopyrimidin-1-yl]oxolan-2-yl]methyl 2,2-dimethylpropanoate;[(2R,3R,4R,5R)-5-deuterio-5-[4-(hydroxyamino)-2-oxopyrimidin-1-yl]-3,4-bis(2-methylpropanoyloxy)oxolan-2-yl]methyl 2-methylpropanoate;[(2R,3R,4R,5R)-5-deuterio-5-[4-(hydroxyamino)-2-oxopyrimidin-1-yl]-3,4-bis(2-propylpentanoyloxy)oxolan-2-yl]methyl 2-propylpentanoate
• SMILES: [2H][C@@]1(n2ccc(NO)nc2=O)O[C@H](COC(=O)C(C)(C)C)[C@@H](OC(=O)C(C)(C)C)[C@H]1OC(=O)C(C)(C)C.[2H][C@@]1(n2ccc(NO)nc2=O)O[C@H](COC(=O)C(C)C)[C@@H](OC(=O)C(C)C)[C@H]1OC(=O)C(C)C.[2H][C@@]1(n2ccc(NO)nc2=O)O[C@H](COC(=O)C(CCC)CCC)[C@@H](OC(=O)C(CCC)CCC)[C@H]1OC(=O)C(CCC)CCC.[2H][C@@]1(n2ccc(NO)nc2=O)O[C@H](COC(=O)CC(C)(C)C)[C@@H](OC(=O)CC(C)(C)C)[C@H]1OC(=O)CC(C)(C)C
• InChI: InChI=1S/C33H55N3O9.C27H43N3O9.C24H37N3O9.C21H31N3O9/c1-7-13-22(14-8-2)30(37)42-21-25-27(44-31(38)23(15-9-3)16-10-4)28(45-32(39)24(17-11-5)18-12-6)29(43-25)36-20-19-26(35-41)34-33(36)40;1-25(2,3)12-18(31)36-15-16-21(38-19(32)13-26(4,5)6)22(39-20(33)14-27(7,8)9)23(37-16)30-11-10-17(29-35)28-24(30)34;1-22(2,3)18(28)33-12-13-15(35-19(29)23(4,5)6)16(36-20(30)24(7,8)9)17(34-13)27-11-10-14(26-32)25-21(27)31;1-10(2)18(25)30-9-13-15(32-19(26)11(3)4)16(33-20(27)12(5)6)17(31-13)24-8-7-14(23-29)22-21(24)28/h19-20,22-25,27-29,41H,7-18,21H2,1-6H3,(H,34,35,40);10-11,16,21-23,35H,12-15H2,1-9H3,(H,28,29,34);10-11,13,15-17,32H,12H2,1-9H3,(H,25,26,31);7-8,10-13,15-17,29H,9H2,1-6H3,(H,22,23,28)/t25-,27-,28-,29-;16-,21-,22-,23-;2*13-,15-,16-,17-/m1111/s1/i29D;23D;2*17D
• InChIKey: AZIQNJNDGVXVFC-QOJFBYSSSA-N
• XLogP: 13.30
• TPSA: 621.12 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 48
• Rotatable Bonds: 45
• Heavy Atoms: 153
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2176.56
LogP ≤ 5	13.30
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	48

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [(2R,3R,4R,5R)-5-deuterio-3,4-bis(3,3-dimethylbutanoyloxy)-5-[4-(hydroxyamino)-2-oxopyrimidin-1-yl]oxolan-2-yl]methyl 3,3-dimethylbutanoate;[(2R,3R,4R,5R)-5-deuterio-3,4-bis(2,2-dimethylpropanoyloxy)-5-[4-(hydroxyamino)-2-oxopyrimidin-1-yl]oxolan-2-yl]methyl 2,2-dimethylpropanoate;[(2R,3R,4R,5R)-5-deuterio-5-[4-(hydroxyamino)-2-oxopyrimidin-1-yl]-3,4-bis(2-methylpropanoyloxy)oxolan-2-yl]methyl 2-methylpropanoate;[(2R,3R,4R,5R)-5-deuterio-5-[4-(hydroxyamino)-2-oxopyrimidin-1-yl]-3,4-bis(2-propylpentanoyloxy)oxolan-2-yl]methyl 2-propylpentanoate?

The IUPAC name of [(2R,3R,4R,5R)-5-deuterio-3,4-bis(3,3-dimethylbutanoyloxy)-5-[4-(hydroxyamino)-2-oxopyrimidin-1-yl]oxolan-2-yl]methyl 3,3-dimethylbutanoate;[(2R,3R,4R,5R)-5-deuterio-3,4-bis(2,2-dimethylpropanoyloxy)-5-[4-(hydroxyamino)-2-oxopyrimidin-1-yl]oxolan-2-yl]methyl 2,2-dimethylpropanoate;[(2R,3R,4R,5R)-5-deuterio-5-[4-(hydroxyamino)-2-oxopyrimidin-1-yl]-3,4-bis(2-methylpropanoyloxy)oxolan-2-yl]methyl 2-methylpropanoate;[(2R,3R,4R,5R)-5-deuterio-5-[4-(hydroxyamino)-2-oxopyrimidin-1-yl]-3,4-bis(2-propylpentanoyloxy)oxolan-2-yl]methyl 2-propylpentanoate (CID 157278169) is [(2R,3R,4R,5R)-5-deuterio-3,4-bis(3,3-dimethylbutanoyloxy)-5-[4-(hydroxyamino)-2-oxopyrimidin-1-yl]oxolan-2-yl]methyl 3,3-dimethylbutanoate;[(2R,3R,4R,5R)-5-deuterio-3,4-bis(2,2-dimethylpropanoyloxy)-5-[4-(hydroxyamino)-2-oxopyrimidin-1-yl]oxolan-2-yl]methyl 2,2-dimethylpropanoate;[(2R,3R,4R,5R)-5-deuterio-5-[4-(hydroxyamino)-2-oxopyrimidin-1-yl]-3,4-bis(2-methylpropanoyloxy)oxolan-2-yl]methyl 2-methylpropanoate;[(2R,3R,4R,5R)-5-deuterio-5-[4-(hydroxyamino)-2-oxopyrimidin-1-yl]-3,4-bis(2-propylpentanoyloxy)oxolan-2-yl]methyl 2-propylpentanoate.

What is the SMILES notation for [(2R,3R,4R,5R)-5-deuterio-3,4-bis(3,3-dimethylbutanoyloxy)-5-[4-(hydroxyamino)-2-oxopyrimidin-1-yl]oxolan-2-yl]methyl 3,3-dimethylbutanoate;[(2R,3R,4R,5R)-5-deuterio-3,4-bis(2,2-dimethylpropanoyloxy)-5-[4-(hydroxyamino)-2-oxopyrimidin-1-yl]oxolan-2-yl]methyl 2,2-dimethylpropanoate;[(2R,3R,4R,5R)-5-deuterio-5-[4-(hydroxyamino)-2-oxopyrimidin-1-yl]-3,4-bis(2-methylpropanoyloxy)oxolan-2-yl]methyl 2-methylpropanoate;[(2R,3R,4R,5R)-5-deuterio-5-[4-(hydroxyamino)-2-oxopyrimidin-1-yl]-3,4-bis(2-propylpentanoyloxy)oxolan-2-yl]methyl 2-propylpentanoate?

The canonical SMILES for [(2R,3R,4R,5R)-5-deuterio-3,4-bis(3,3-dimethylbutanoyloxy)-5-[4-(hydroxyamino)-2-oxopyrimidin-1-yl]oxolan-2-yl]methyl 3,3-dimethylbutanoate;[(2R,3R,4R,5R)-5-deuterio-3,4-bis(2,2-dimethylpropanoyloxy)-5-[4-(hydroxyamino)-2-oxopyrimidin-1-yl]oxolan-2-yl]methyl 2,2-dimethylpropanoate;[(2R,3R,4R,5R)-5-deuterio-5-[4-(hydroxyamino)-2-oxopyrimidin-1-yl]-3,4-bis(2-methylpropanoyloxy)oxolan-2-yl]methyl 2-methylpropanoate;[(2R,3R,4R,5R)-5-deuterio-5-[4-(hydroxyamino)-2-oxopyrimidin-1-yl]-3,4-bis(2-propylpentanoyloxy)oxolan-2-yl]methyl 2-propylpentanoate is [2H][C@@]1(n2ccc(NO)nc2=O)O[C@H](COC(=O)C(C)(C)C)[C@@H](OC(=O)C(C)(C)C)[C@H]1OC(=O)C(C)(C)C.[2H][C@@]1(n2ccc(NO)nc2=O)O[C@H](COC(=O)C(C)C)[C@@H](OC(=O)C(C)C)[C@H]1OC(=O)C(C)C.[2H][C@@]1(n2ccc(NO)nc2=O)O[C@H](COC(=O)C(CCC)CCC)[C@@H](OC(=O)C(CCC)CCC)[C@H]1OC(=O)C(CCC)CCC.[2H][C@@]1(n2ccc(NO)nc2=O)O[C@H](COC(=O)CC(C)(C)C)[C@@H](OC(=O)CC(C)(C)C)[C@H]1OC(=O)CC(C)(C)C.

What is the InChIKey of [(2R,3R,4R,5R)-5-deuterio-3,4-bis(3,3-dimethylbutanoyloxy)-5-[4-(hydroxyamino)-2-oxopyrimidin-1-yl]oxolan-2-yl]methyl 3,3-dimethylbutanoate;[(2R,3R,4R,5R)-5-deuterio-3,4-bis(2,2-dimethylpropanoyloxy)-5-[4-(hydroxyamino)-2-oxopyrimidin-1-yl]oxolan-2-yl]methyl 2,2-dimethylpropanoate;[(2R,3R,4R,5R)-5-deuterio-5-[4-(hydroxyamino)-2-oxopyrimidin-1-yl]-3,4-bis(2-methylpropanoyloxy)oxolan-2-yl]methyl 2-methylpropanoate;[(2R,3R,4R,5R)-5-deuterio-5-[4-(hydroxyamino)-2-oxopyrimidin-1-yl]-3,4-bis(2-propylpentanoyloxy)oxolan-2-yl]methyl 2-propylpentanoate?

The InChIKey is AZIQNJNDGVXVFC-QOJFBYSSSA-N. The full InChI is InChI=1S/C33H55N3O9.C27H43N3O9.C24H37N3O9.C21H31N3O9/c1-7-13-22(14-8-2)30(37)42-21-25-27(44-31(38)23(15-9-3)16-10-4)28(45-32(39)24(17-11-5)18-12-6)29(43-25)36-20-19-26(35-41)34-33(36)40;1-25(2,3)12-18(31)36-15-16-21(38-19(32)13-26(4,5)6)22(39-20(33)14-27(7,8)9)23(37-16)30-11-10-17(29-35)28-24(30)34;1-22(2,3)18(28)33-12-13-15(35-19(29)23(4,5)6)16(36-20(30)24(7,8)9)17(34-13)27-11-10-14(26-32)25-21(27)31;1-10(2)18(25)30-9-13-15(32-19(26)11(3)4)16(33-20(27)12(5)6)17(31-13)24-8-7-14(23-29)22-21(24)28/h19-20,22-25,27-29,41H,7-18,21H2,1-6H3,(H,34,35,40);10-11,16,21-23,35H,12-15H2,1-9H3,(H,28,29,34);10-11,13,15-17,32H,12H2,1-9H3,(H,25,26,31);7-8,10-13,15-17,29H,9H2,1-6H3,(H,22,23,28)/t25-,27-,28-,29-;16-,21-,22-,23-;2*13-,15-,16-,17-/m1111/s1/i29D;23D;2*17D.

What are the key properties of [(2R,3R,4R,5R)-5-deuterio-3,4-bis(3,3-dimethylbutanoyloxy)-5-[4-(hydroxyamino)-2-oxopyrimidin-1-yl]oxolan-2-yl]methyl 3,3-dimethylbutanoate;[(2R,3R,4R,5R)-5-deuterio-3,4-bis(2,2-dimethylpropanoyloxy)-5-[4-(hydroxyamino)-2-oxopyrimidin-1-yl]oxolan-2-yl]methyl 2,2-dimethylpropanoate;[(2R,3R,4R,5R)-5-deuterio-5-[4-(hydroxyamino)-2-oxopyrimidin-1-yl]-3,4-bis(2-methylpropanoyloxy)oxolan-2-yl]methyl 2-methylpropanoate;[(2R,3R,4R,5R)-5-deuterio-5-[4-(hydroxyamino)-2-oxopyrimidin-1-yl]-3,4-bis(2-propylpentanoyloxy)oxolan-2-yl]methyl 2-propylpentanoate?

[(2R,3R,4R,5R)-5-deuterio-3,4-bis(3,3-dimethylbutanoyloxy)-5-[4-(hydroxyamino)-2-oxopyrimidin-1-yl]oxolan-2-yl]methyl 3,3-dimethylbutanoate;[(2R,3R,4R,5R)-5-deuterio-3,4-bis(2,2-dimethylpropanoyloxy)-5-[4-(hydroxyamino)-2-oxopyrimidin-1-yl]oxolan-2-yl]methyl 2,2-dimethylpropanoate;[(2R,3R,4R,5R)-5-deuterio-5-[4-(hydroxyamino)-2-oxopyrimidin-1-yl]-3,4-bis(2-methylpropanoyloxy)oxolan-2-yl]methyl 2-methylpropanoate;[(2R,3R,4R,5R)-5-deuterio-5-[4-(hydroxyamino)-2-oxopyrimidin-1-yl]-3,4-bis(2-propylpentanoyloxy)oxolan-2-yl]methyl 2-propylpentanoate has a molecular weight of 2176.56 g/mol, XLogP of 13.30, 45 rotatable bonds, 8 hydrogen bond donors, and 48 hydrogen bond acceptors.

Where does this data come from?

All data for [(2R,3R,4R,5R)-5-deuterio-3,4-bis(3,3-dimethylbutanoyloxy)-5-[4-(hydroxyamino)-2-oxopyrimidin-1-yl]oxolan-2-yl]methyl 3,3-dimethylbutanoate;[(2R,3R,4R,5R)-5-deuterio-3,4-bis(2,2-dimethylpropanoyloxy)-5-[4-(hydroxyamino)-2-oxopyrimidin-1-yl]oxolan-2-yl]methyl 2,2-dimethylpropanoate;[(2R,3R,4R,5R)-5-deuterio-5-[4-(hydroxyamino)-2-oxopyrimidin-1-yl]-3,4-bis(2-methylpropanoyloxy)oxolan-2-yl]methyl 2-methylpropanoate;[(2R,3R,4R,5R)-5-deuterio-5-[4-(hydroxyamino)-2-oxopyrimidin-1-yl]-3,4-bis(2-propylpentanoyloxy)oxolan-2-yl]methyl 2-propylpentanoate is sourced from PubChem (CID 157278169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).