[(2R,3R,4R,5R)-3,4-bis(cyclobutanecarbonyloxy)-5-deuterio-5-[4-(hydroxyamino)-2-oxopyrimidin-1-yl]oxolan-2-yl]methyl cyclobutanecarboxylate;[(2R,3R,4R,5R)-3,4-bis(cyclohexanecarbonyloxy)-5-deuterio-5-[4-(hydroxyamino)-2-oxopyrimidin-1-yl]oxolan-2-yl]methyl cyclohexanecarboxylate;[(2R,3R,4R,5R)-3,4-bis(cyclopentanecarbonyloxy)-5-deuterio-5-[4-(hydroxyamino)-2-oxopyrimidin-1-yl]oxolan-2-yl]methyl cyclopentanecarboxylate;[(2R,3R,4R,5R)-3,4-bis(cyclopropanecarbonyloxy)-5-deuterio-5-[4-(hydroxyamino)-2-oxopyrimidin-1-yl]oxolan-2-yl]methyl cyclopropanecarboxylate

C102H136N12O36 — CID 161376882

About [(2R,3R,4R,5R)-3,4-bis(cyclobutanecarbonyloxy)-5-deuterio-5-[4-(hydroxyamino)-2-oxopyrimidin-1-yl]oxolan-2-yl]methyl cyclobutanecarboxylate;[(2R,3R,4R,5R)-3,4-bis(cyclohexanecarbonyloxy)-5-deuterio-5-[4-(hydroxyamino)-2-oxopyrimidin-1-yl]oxolan-2-yl]methyl cyclohexanecarboxylate;[(2R,3R,4R,5R)-3,4-bis(cyclopentanecarbonyloxy)-5-deuterio-5-[4-(hydroxyamino)-2-oxopyrimidin-1-yl]oxolan-2-yl]methyl cyclopentanecarboxylate;[(2R,3R,4R,5R)-3,4-bis(cyclopropanecarbonyloxy)-5-deuterio-5-[4-(hydroxyamino)-2-oxopyrimidin-1-yl]oxolan-2-yl]methyl cyclopropanecarboxylate

[(2R,3R,4R,5R)-3,4-bis(cyclobutanecarbonyloxy)-5-deuterio-5-[4-(hydroxyamino)-2-oxopyrimidin-1-yl]oxolan-2-yl]methyl cyclobutanecarboxylate;[(2R,3R,4R,5R)-3,4-bis(cyclohexanecarbonyloxy)-5-deuterio-5-[4-(hydroxyamino)-2-oxopyrimidin-1-yl]oxolan-2-yl]methyl cyclohexanecarboxylate;[(2R,3R,4R,5R)-3,4-bis(cyclopentanecarbonyloxy)-5-deuterio-5-[4-(hydroxyamino)-2-oxopyrimidin-1-yl]oxolan-2-yl]methyl cyclopentanecarboxylate;[(2R,3R,4R,5R)-3,4-bis(cyclopropanecarbonyloxy)-5-deuterio-5-[4-(hydroxyamino)-2-oxopyrimidin-1-yl]oxolan-2-yl]methyl cyclopropanecarboxylate (PubChem CID 161376882) has the molecular formula C102H136N12O36 and a molecular weight of 2110.28 g/mol. Its IUPAC name is [(2R,3R,4R,5R)-3,4-bis(cyclobutanecarbonyloxy)-5-deuterio-5-[4-(hydroxyamino)-2-oxopyrimidin-1-yl]oxolan-2-yl]methyl cyclobutanecarboxylate;[(2R,3R,4R,5R)-3,4-bis(cyclohexanecarbonyloxy)-5-deuterio-5-[4-(hydroxyamino)-2-oxopyrimidin-1-yl]oxolan-2-yl]methyl cyclohexanecarboxylate;[(2R,3R,4R,5R)-3,4-bis(cyclopentanecarbonyloxy)-5-deuterio-5-[4-(hydroxyamino)-2-oxopyrimidin-1-yl]oxolan-2-yl]methyl cyclopentanecarboxylate;[(2R,3R,4R,5R)-3,4-bis(cyclopropanecarbonyloxy)-5-deuterio-5-[4-(hydroxyamino)-2-oxopyrimidin-1-yl]oxolan-2-yl]methyl cyclopropanecarboxylate.

Molecular Properties

• Compound Name: [(2R,3R,4R,5R)-3,4-bis(cyclobutanecarbonyloxy)-5-deuterio-5-[4-(hydroxyamino)-2-oxopyrimidin-1-yl]oxolan-2-yl]methyl cyclobutanecarboxylate;[(2R,3R,4R,5R)-3,4-bis(cyclohexanecarbonyloxy)-5-deuterio-5-[4-(hydroxyamino)-2-oxopyrimidin-1-yl]oxolan-2-yl]methyl cyclohexanecarboxylate;[(2R,3R,4R,5R)-3,4-bis(cyclopentanecarbonyloxy)-5-deuterio-5-[4-(hydroxyamino)-2-oxopyrimidin-1-yl]oxolan-2-yl]methyl cyclopentanecarboxylate;[(2R,3R,4R,5R)-3,4-bis(cyclopropanecarbonyloxy)-5-deuterio-5-[4-(hydroxyamino)-2-oxopyrimidin-1-yl]oxolan-2-yl]methyl cyclopropanecarboxylate
• PubChem CID: 161376882
• Molecular Formula: C102H136N12O36
• Molecular Weight: 2110.28 g/mol
• Exact Mass: 2108.94
• IUPAC Name: [(2R,3R,4R,5R)-3,4-bis(cyclobutanecarbonyloxy)-5-deuterio-5-[4-(hydroxyamino)-2-oxopyrimidin-1-yl]oxolan-2-yl]methyl cyclobutanecarboxylate;[(2R,3R,4R,5R)-3,4-bis(cyclohexanecarbonyloxy)-5-deuterio-5-[4-(hydroxyamino)-2-oxopyrimidin-1-yl]oxolan-2-yl]methyl cyclohexanecarboxylate;[(2R,3R,4R,5R)-3,4-bis(cyclopentanecarbonyloxy)-5-deuterio-5-[4-(hydroxyamino)-2-oxopyrimidin-1-yl]oxolan-2-yl]methyl cyclopentanecarboxylate;[(2R,3R,4R,5R)-3,4-bis(cyclopropanecarbonyloxy)-5-deuterio-5-[4-(hydroxyamino)-2-oxopyrimidin-1-yl]oxolan-2-yl]methyl cyclopropanecarboxylate
• SMILES: [2H][C@@]1(n2ccc(NO)nc2=O)O[C@H](COC(=O)C2CC2)[C@@H](OC(=O)C2CC2)[C@H]1OC(=O)C1CC1.[2H][C@@]1(n2ccc(NO)nc2=O)O[C@H](COC(=O)C2CCC2)[C@@H](OC(=O)C2CCC2)[C@H]1OC(=O)C1CCC1.[2H][C@@]1(n2ccc(NO)nc2=O)O[C@H](COC(=O)C2CCCC2)[C@@H](OC(=O)C2CCCC2)[C@H]1OC(=O)C1CCCC1.[2H][C@@]1(n2ccc(NO)nc2=O)O[C@H](COC(=O)C2CCCCC2)[C@@H](OC(=O)C2CCCCC2)[C@H]1OC(=O)C1CCCCC1
• InChI: InChI=1S/C30H43N3O9.C27H37N3O9.C24H31N3O9.C21H25N3O9/c34-27(19-10-4-1-5-11-19)39-18-22-24(41-28(35)20-12-6-2-7-13-20)25(42-29(36)21-14-8-3-9-15-21)26(40-22)33-17-16-23(32-38)31-30(33)37;31-24(16-7-1-2-8-16)36-15-19-21(38-25(32)17-9-3-4-10-17)22(39-26(33)18-11-5-6-12-18)23(37-19)30-14-13-20(29-35)28-27(30)34;28-21(13-4-1-5-13)33-12-16-18(35-22(29)14-6-2-7-14)19(36-23(30)15-8-3-9-15)20(34-16)27-11-10-17(26-32)25-24(27)31;25-18(10-1-2-10)30-9-13-15(32-19(26)11-3-4-11)16(33-20(27)12-5-6-12)17(31-13)24-8-7-14(23-29)22-21(24)28/h16-17,19-22,24-26,38H,1-15,18H2,(H,31,32,37);13-14,16-19,21-23,35H,1-12,15H2,(H,28,29,34);10-11,13-16,18-20,32H,1-9,12H2,(H,25,26,31);7-8,10-13,15-17,29H,1-6,9H2,(H,22,23,28)/t22-,24-,25-,26-;19-,21-,22-,23-;16-,18-,19-,20-;13-,15-,16-,17-/m1111/s1/i26D;23D;20D;17D
• InChIKey: VREQLLJIHDCAPR-YBTORXFASA-N
• XLogP: 9.18
• TPSA: 621.12 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 48
• Rotatable Bonds: 36
• Heavy Atoms: 150
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2110.28
LogP ≤ 5	9.18
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)-3,4-bis(cyclobutanecarbonyloxy)-5-deuterio-5-[4-(hydroxyamino)-2-oxopyrimidin-1-yl]oxolan-2-yl]methyl cyclobutanecarboxylate;[(2R,3R,4R,5R)-3,4-bis(cyclohexanecarbonyloxy)-5-deuterio-5-[4-(hydroxyamino)-2-oxopyrimidin-1-yl]oxolan-2-yl]methyl cyclohexanecarboxylate;[(2R,3R,4R,5R)-3,4-bis(cyclopentanecarbonyloxy)-5-deuterio-5-[4-(hydroxyamino)-2-oxopyrimidin-1-yl]oxolan-2-yl]methyl cyclopentanecarboxylate;[(2R,3R,4R,5R)-3,4-bis(cyclopropanecarbonyloxy)-5-deuterio-5-[4-(hydroxyamino)-2-oxopyrimidin-1-yl]oxolan-2-yl]methyl cyclopropanecarboxylate?

The IUPAC name of [(2R,3R,4R,5R)-3,4-bis(cyclobutanecarbonyloxy)-5-deuterio-5-[4-(hydroxyamino)-2-oxopyrimidin-1-yl]oxolan-2-yl]methyl cyclobutanecarboxylate;[(2R,3R,4R,5R)-3,4-bis(cyclohexanecarbonyloxy)-5-deuterio-5-[4-(hydroxyamino)-2-oxopyrimidin-1-yl]oxolan-2-yl]methyl cyclohexanecarboxylate;[(2R,3R,4R,5R)-3,4-bis(cyclopentanecarbonyloxy)-5-deuterio-5-[4-(hydroxyamino)-2-oxopyrimidin-1-yl]oxolan-2-yl]methyl cyclopentanecarboxylate;[(2R,3R,4R,5R)-3,4-bis(cyclopropanecarbonyloxy)-5-deuterio-5-[4-(hydroxyamino)-2-oxopyrimidin-1-yl]oxolan-2-yl]methyl cyclopropanecarboxylate (CID 161376882) is [(2R,3R,4R,5R)-3,4-bis(cyclobutanecarbonyloxy)-5-deuterio-5-[4-(hydroxyamino)-2-oxopyrimidin-1-yl]oxolan-2-yl]methyl cyclobutanecarboxylate;[(2R,3R,4R,5R)-3,4-bis(cyclohexanecarbonyloxy)-5-deuterio-5-[4-(hydroxyamino)-2-oxopyrimidin-1-yl]oxolan-2-yl]methyl cyclohexanecarboxylate;[(2R,3R,4R,5R)-3,4-bis(cyclopentanecarbonyloxy)-5-deuterio-5-[4-(hydroxyamino)-2-oxopyrimidin-1-yl]oxolan-2-yl]methyl cyclopentanecarboxylate;[(2R,3R,4R,5R)-3,4-bis(cyclopropanecarbonyloxy)-5-deuterio-5-[4-(hydroxyamino)-2-oxopyrimidin-1-yl]oxolan-2-yl]methyl cyclopropanecarboxylate.

What is the SMILES notation for [(2R,3R,4R,5R)-3,4-bis(cyclobutanecarbonyloxy)-5-deuterio-5-[4-(hydroxyamino)-2-oxopyrimidin-1-yl]oxolan-2-yl]methyl cyclobutanecarboxylate;[(2R,3R,4R,5R)-3,4-bis(cyclohexanecarbonyloxy)-5-deuterio-5-[4-(hydroxyamino)-2-oxopyrimidin-1-yl]oxolan-2-yl]methyl cyclohexanecarboxylate;[(2R,3R,4R,5R)-3,4-bis(cyclopentanecarbonyloxy)-5-deuterio-5-[4-(hydroxyamino)-2-oxopyrimidin-1-yl]oxolan-2-yl]methyl cyclopentanecarboxylate;[(2R,3R,4R,5R)-3,4-bis(cyclopropanecarbonyloxy)-5-deuterio-5-[4-(hydroxyamino)-2-oxopyrimidin-1-yl]oxolan-2-yl]methyl cyclopropanecarboxylate?

The canonical SMILES for [(2R,3R,4R,5R)-3,4-bis(cyclobutanecarbonyloxy)-5-deuterio-5-[4-(hydroxyamino)-2-oxopyrimidin-1-yl]oxolan-2-yl]methyl cyclobutanecarboxylate;[(2R,3R,4R,5R)-3,4-bis(cyclohexanecarbonyloxy)-5-deuterio-5-[4-(hydroxyamino)-2-oxopyrimidin-1-yl]oxolan-2-yl]methyl cyclohexanecarboxylate;[(2R,3R,4R,5R)-3,4-bis(cyclopentanecarbonyloxy)-5-deuterio-5-[4-(hydroxyamino)-2-oxopyrimidin-1-yl]oxolan-2-yl]methyl cyclopentanecarboxylate;[(2R,3R,4R,5R)-3,4-bis(cyclopropanecarbonyloxy)-5-deuterio-5-[4-(hydroxyamino)-2-oxopyrimidin-1-yl]oxolan-2-yl]methyl cyclopropanecarboxylate is [2H][C@@]1(n2ccc(NO)nc2=O)O[C@H](COC(=O)C2CC2)[C@@H](OC(=O)C2CC2)[C@H]1OC(=O)C1CC1.[2H][C@@]1(n2ccc(NO)nc2=O)O[C@H](COC(=O)C2CCC2)[C@@H](OC(=O)C2CCC2)[C@H]1OC(=O)C1CCC1.[2H][C@@]1(n2ccc(NO)nc2=O)O[C@H](COC(=O)C2CCCC2)[C@@H](OC(=O)C2CCCC2)[C@H]1OC(=O)C1CCCC1.[2H][C@@]1(n2ccc(NO)nc2=O)O[C@H](COC(=O)C2CCCCC2)[C@@H](OC(=O)C2CCCCC2)[C@H]1OC(=O)C1CCCCC1.

What is the InChIKey of [(2R,3R,4R,5R)-3,4-bis(cyclobutanecarbonyloxy)-5-deuterio-5-[4-(hydroxyamino)-2-oxopyrimidin-1-yl]oxolan-2-yl]methyl cyclobutanecarboxylate;[(2R,3R,4R,5R)-3,4-bis(cyclohexanecarbonyloxy)-5-deuterio-5-[4-(hydroxyamino)-2-oxopyrimidin-1-yl]oxolan-2-yl]methyl cyclohexanecarboxylate;[(2R,3R,4R,5R)-3,4-bis(cyclopentanecarbonyloxy)-5-deuterio-5-[4-(hydroxyamino)-2-oxopyrimidin-1-yl]oxolan-2-yl]methyl cyclopentanecarboxylate;[(2R,3R,4R,5R)-3,4-bis(cyclopropanecarbonyloxy)-5-deuterio-5-[4-(hydroxyamino)-2-oxopyrimidin-1-yl]oxolan-2-yl]methyl cyclopropanecarboxylate?

The InChIKey is VREQLLJIHDCAPR-YBTORXFASA-N. The full InChI is InChI=1S/C30H43N3O9.C27H37N3O9.C24H31N3O9.C21H25N3O9/c34-27(19-10-4-1-5-11-19)39-18-22-24(41-28(35)20-12-6-2-7-13-20)25(42-29(36)21-14-8-3-9-15-21)26(40-22)33-17-16-23(32-38)31-30(33)37;31-24(16-7-1-2-8-16)36-15-19-21(38-25(32)17-9-3-4-10-17)22(39-26(33)18-11-5-6-12-18)23(37-19)30-14-13-20(29-35)28-27(30)34;28-21(13-4-1-5-13)33-12-16-18(35-22(29)14-6-2-7-14)19(36-23(30)15-8-3-9-15)20(34-16)27-11-10-17(26-32)25-24(27)31;25-18(10-1-2-10)30-9-13-15(32-19(26)11-3-4-11)16(33-20(27)12-5-6-12)17(31-13)24-8-7-14(23-29)22-21(24)28/h16-17,19-22,24-26,38H,1-15,18H2,(H,31,32,37);13-14,16-19,21-23,35H,1-12,15H2,(H,28,29,34);10-11,13-16,18-20,32H,1-9,12H2,(H,25,26,31);7-8,10-13,15-17,29H,1-6,9H2,(H,22,23,28)/t22-,24-,25-,26-;19-,21-,22-,23-;16-,18-,19-,20-;13-,15-,16-,17-/m1111/s1/i26D;23D;20D;17D.

What are the key properties of [(2R,3R,4R,5R)-3,4-bis(cyclobutanecarbonyloxy)-5-deuterio-5-[4-(hydroxyamino)-2-oxopyrimidin-1-yl]oxolan-2-yl]methyl cyclobutanecarboxylate;[(2R,3R,4R,5R)-3,4-bis(cyclohexanecarbonyloxy)-5-deuterio-5-[4-(hydroxyamino)-2-oxopyrimidin-1-yl]oxolan-2-yl]methyl cyclohexanecarboxylate;[(2R,3R,4R,5R)-3,4-bis(cyclopentanecarbonyloxy)-5-deuterio-5-[4-(hydroxyamino)-2-oxopyrimidin-1-yl]oxolan-2-yl]methyl cyclopentanecarboxylate;[(2R,3R,4R,5R)-3,4-bis(cyclopropanecarbonyloxy)-5-deuterio-5-[4-(hydroxyamino)-2-oxopyrimidin-1-yl]oxolan-2-yl]methyl cyclopropanecarboxylate?

[(2R,3R,4R,5R)-3,4-bis(cyclobutanecarbonyloxy)-5-deuterio-5-[4-(hydroxyamino)-2-oxopyrimidin-1-yl]oxolan-2-yl]methyl cyclobutanecarboxylate;[(2R,3R,4R,5R)-3,4-bis(cyclohexanecarbonyloxy)-5-deuterio-5-[4-(hydroxyamino)-2-oxopyrimidin-1-yl]oxolan-2-yl]methyl cyclohexanecarboxylate;[(2R,3R,4R,5R)-3,4-bis(cyclopentanecarbonyloxy)-5-deuterio-5-[4-(hydroxyamino)-2-oxopyrimidin-1-yl]oxolan-2-yl]methyl cyclopentanecarboxylate;[(2R,3R,4R,5R)-3,4-bis(cyclopropanecarbonyloxy)-5-deuterio-5-[4-(hydroxyamino)-2-oxopyrimidin-1-yl]oxolan-2-yl]methyl cyclopropanecarboxylate has a molecular weight of 2110.28 g/mol, XLogP of 9.18, 36 rotatable bonds, 8 hydrogen bond donors, and 48 hydrogen bond acceptors.

Where does this data come from?

All data for [(2R,3R,4R,5R)-3,4-bis(cyclobutanecarbonyloxy)-5-deuterio-5-[4-(hydroxyamino)-2-oxopyrimidin-1-yl]oxolan-2-yl]methyl cyclobutanecarboxylate;[(2R,3R,4R,5R)-3,4-bis(cyclohexanecarbonyloxy)-5-deuterio-5-[4-(hydroxyamino)-2-oxopyrimidin-1-yl]oxolan-2-yl]methyl cyclohexanecarboxylate;[(2R,3R,4R,5R)-3,4-bis(cyclopentanecarbonyloxy)-5-deuterio-5-[4-(hydroxyamino)-2-oxopyrimidin-1-yl]oxolan-2-yl]methyl cyclopentanecarboxylate;[(2R,3R,4R,5R)-3,4-bis(cyclopropanecarbonyloxy)-5-deuterio-5-[4-(hydroxyamino)-2-oxopyrimidin-1-yl]oxolan-2-yl]methyl cyclopropanecarboxylate is sourced from PubChem (CID 161376882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).