[(2R,3R,4R,5R)-2-[4-(butoxycarbonylamino)-5-fluoro-2-oxopyrimidin-1-yl]-4-butoxycarbonyloxy-5-methyloxolan-3-yl] butyl carbonate

C24H36FN3O10 — CID 15289211

IUPAC[(2R,3R,4R,5R)-2-[4-(butoxycarbonylamino)-5-fluoro-2-oxopyrimidin-1-yl]-4-butoxycarbonyloxy-5-methyloxolan-3-yl] butyl carbonate
SMILESCCCCOC(=O)Nc1nc(=O)n([C@@H]2O[C@H](C)[C@@H](OC(=O)OCCCC)[C@H]2OC(=O)OCCCC)cc1F
InChIInChI=1S/C24H36FN3O10/c1-5-8-11-33-22(30)27-19-16(25)14-28(21(29)26-19)20-18(38-24(32)35-13-10-7-3)17(15(4)36-20)37-23(31)34-12-9-6-2/h14-15,17-18,20H,5-13H2,1-4H3,(H,26,27,29,30)/t15-,17-,18-,20-/m1/s1
InChIKeyAPGCYCKWUGARQM-DLVXIWMQSA-N
MW545.56 g/mol
LogP4.29
Rot. Bonds13

About [(2R,3R,4R,5R)-2-[4-(butoxycarbonylamino)-5-fluoro-2-oxopyrimidin-1-yl]-4-butoxycarbonyloxy-5-methyloxolan-3-yl] butyl carbonate

[(2R,3R,4R,5R)-2-[4-(butoxycarbonylamino)-5-fluoro-2-oxopyrimidin-1-yl]-4-butoxycarbonyloxy-5-methyloxolan-3-yl] butyl carbonate (PubChem CID 15289211) has the molecular formula C24H36FN3O10 and a molecular weight of 545.56 g/mol. Its IUPAC name is [(2R,3R,4R,5R)-2-[4-(butoxycarbonylamino)-5-fluoro-2-oxopyrimidin-1-yl]-4-butoxycarbonyloxy-5-methyloxolan-3-yl] butyl carbonate.

Molecular Properties

Compound Name[(2R,3R,4R,5R)-2-[4-(butoxycarbonylamino)-5-fluoro-2-oxopyrimidin-1-yl]-4-butoxycarbonyloxy-5-methyloxolan-3-yl] butyl carbonate
PubChem CID15289211
Molecular FormulaC24H36FN3O10
Molecular Weight545.56 g/mol
Exact Mass545.24
IUPAC Name[(2R,3R,4R,5R)-2-[4-(butoxycarbonylamino)-5-fluoro-2-oxopyrimidin-1-yl]-4-butoxycarbonyloxy-5-methyloxolan-3-yl] butyl carbonate
SMILESCCCCOC(=O)Nc1nc(=O)n([C@@H]2O[C@H](C)[C@@H](OC(=O)OCCCC)[C@H]2OC(=O)OCCCC)cc1F
InChIInChI=1S/C24H36FN3O10/c1-5-8-11-33-22(30)27-19-16(25)14-28(21(29)26-19)20-18(38-24(32)35-13-10-7-3)17(15(4)36-20)37-23(31)34-12-9-6-2/h14-15,17-18,20H,5-13H2,1-4H3,(H,26,27,29,30)/t15-,17-,18-,20-/m1/s1
InChIKeyAPGCYCKWUGARQM-DLVXIWMQSA-N
XLogP4.29
TPSA153.51 Ų
H-Bond Donors1
H-Bond Acceptors12
Rotatable Bonds13
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500545.56
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze [(2R,3R,4R,5R)-2-[4-(butoxycarbonylamino)-5-fluoro-2-oxopyrimidin-1-yl]-4-butoxycarbonyloxy-5-methyloxolan-3-yl] butyl carbonate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [(2R,3R,4R,5R)-2-[4-(butoxycarbonylamino)-5-fluoro-2-oxopyrimidin-1-yl]-4-butoxycarbonyloxy-5-methyloxolan-3-yl] butyl carbonate?
The IUPAC name of [(2R,3R,4R,5R)-2-[4-(butoxycarbonylamino)-5-fluoro-2-oxopyrimidin-1-yl]-4-butoxycarbonyloxy-5-methyloxolan-3-yl] butyl carbonate (CID 15289211) is [(2R,3R,4R,5R)-2-[4-(butoxycarbonylamino)-5-fluoro-2-oxopyrimidin-1-yl]-4-butoxycarbonyloxy-5-methyloxolan-3-yl] butyl carbonate.
What is the SMILES notation for [(2R,3R,4R,5R)-2-[4-(butoxycarbonylamino)-5-fluoro-2-oxopyrimidin-1-yl]-4-butoxycarbonyloxy-5-methyloxolan-3-yl] butyl carbonate?
The canonical SMILES for [(2R,3R,4R,5R)-2-[4-(butoxycarbonylamino)-5-fluoro-2-oxopyrimidin-1-yl]-4-butoxycarbonyloxy-5-methyloxolan-3-yl] butyl carbonate is CCCCOC(=O)Nc1nc(=O)n([C@@H]2O[C@H](C)[C@@H](OC(=O)OCCCC)[C@H]2OC(=O)OCCCC)cc1F.
What is the InChIKey of [(2R,3R,4R,5R)-2-[4-(butoxycarbonylamino)-5-fluoro-2-oxopyrimidin-1-yl]-4-butoxycarbonyloxy-5-methyloxolan-3-yl] butyl carbonate?
The InChIKey is APGCYCKWUGARQM-DLVXIWMQSA-N. The full InChI is InChI=1S/C24H36FN3O10/c1-5-8-11-33-22(30)27-19-16(25)14-28(21(29)26-19)20-18(38-24(32)35-13-10-7-3)17(15(4)36-20)37-23(31)34-12-9-6-2/h14-15,17-18,20H,5-13H2,1-4H3,(H,26,27,29,30)/t15-,17-,18-,20-/m1/s1.
What are the key properties of [(2R,3R,4R,5R)-2-[4-(butoxycarbonylamino)-5-fluoro-2-oxopyrimidin-1-yl]-4-butoxycarbonyloxy-5-methyloxolan-3-yl] butyl carbonate?
[(2R,3R,4R,5R)-2-[4-(butoxycarbonylamino)-5-fluoro-2-oxopyrimidin-1-yl]-4-butoxycarbonyloxy-5-methyloxolan-3-yl] butyl carbonate has a molecular weight of 545.56 g/mol, XLogP of 4.29, 13 rotatable bonds, 1 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3R,4R,5R)-2-[4-(butoxycarbonylamino)-5-fluoro-2-oxopyrimidin-1-yl]-4-butoxycarbonyloxy-5-methyloxolan-3-yl] butyl carbonate is sourced from PubChem (CID 15289211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).