[[5-(4-amino-5-fluoro-2-oxopyrimidin-1-yl)-2,5-dihydrofuran-2-yl]methoxy-(prop-1-en-2-yloxymethoxy)phosphanyl]oxymethyl propan-2-yl carbonate;propane

C21H33FN3O9P — CID 171628809

About [[5-(4-amino-5-fluoro-2-oxopyrimidin-1-yl)-2,5-dihydrofuran-2-yl]methoxy-(prop-1-en-2-yloxymethoxy)phosphanyl]oxymethyl propan-2-yl carbonate;propane

[[5-(4-amino-5-fluoro-2-oxopyrimidin-1-yl)-2,5-dihydrofuran-2-yl]methoxy-(prop-1-en-2-yloxymethoxy)phosphanyl]oxymethyl propan-2-yl carbonate;propane (PubChem CID 171628809) has the molecular formula C21H33FN3O9P and a molecular weight of 521.48 g/mol. Its IUPAC name is [[5-(4-amino-5-fluoro-2-oxopyrimidin-1-yl)-2,5-dihydrofuran-2-yl]methoxy-(prop-1-en-2-yloxymethoxy)phosphanyl]oxymethyl propan-2-yl carbonate;propane.

Molecular Properties

• Compound Name: [[5-(4-amino-5-fluoro-2-oxopyrimidin-1-yl)-2,5-dihydrofuran-2-yl]methoxy-(prop-1-en-2-yloxymethoxy)phosphanyl]oxymethyl propan-2-yl carbonate;propane
• PubChem CID: 171628809
• Molecular Formula: C21H33FN3O9P
• Molecular Weight: 521.48 g/mol
• Exact Mass: 521.19
• IUPAC Name: [[5-(4-amino-5-fluoro-2-oxopyrimidin-1-yl)-2,5-dihydrofuran-2-yl]methoxy-(prop-1-en-2-yloxymethoxy)phosphanyl]oxymethyl propan-2-yl carbonate;propane
• SMILES: C=C(C)OCOP(OCOC(=O)OC(C)C)OCC1C=CC(n2cc(F)c(N)nc2=O)O1.CCC
• InChI: InChI=1S/C18H25FN3O9P.C3H8/c1-11(2)25-9-28-32(29-10-26-18(24)30-12(3)4)27-8-13-5-6-15(31-13)22-7-14(19)16(20)21-17(22)23;1-3-2/h5-7,12-13,15H,1,8-10H2,2-4H3,(H2,20,21,23);3H2,1-2H3
• InChIKey: HPUURDZFCCFYNT-UHFFFAOYSA-N
• XLogP: 4.14
• TPSA: 142.59 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 12
• Rotatable Bonds: 12
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	521.48
LogP ≤ 5	4.14
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [[5-(4-amino-5-fluoro-2-oxopyrimidin-1-yl)-2,5-dihydrofuran-2-yl]methoxy-(prop-1-en-2-yloxymethoxy)phosphanyl]oxymethyl propan-2-yl carbonate;propane?

The IUPAC name of [[5-(4-amino-5-fluoro-2-oxopyrimidin-1-yl)-2,5-dihydrofuran-2-yl]methoxy-(prop-1-en-2-yloxymethoxy)phosphanyl]oxymethyl propan-2-yl carbonate;propane (CID 171628809) is [[5-(4-amino-5-fluoro-2-oxopyrimidin-1-yl)-2,5-dihydrofuran-2-yl]methoxy-(prop-1-en-2-yloxymethoxy)phosphanyl]oxymethyl propan-2-yl carbonate;propane.

What is the SMILES notation for [[5-(4-amino-5-fluoro-2-oxopyrimidin-1-yl)-2,5-dihydrofuran-2-yl]methoxy-(prop-1-en-2-yloxymethoxy)phosphanyl]oxymethyl propan-2-yl carbonate;propane?

The canonical SMILES for [[5-(4-amino-5-fluoro-2-oxopyrimidin-1-yl)-2,5-dihydrofuran-2-yl]methoxy-(prop-1-en-2-yloxymethoxy)phosphanyl]oxymethyl propan-2-yl carbonate;propane is C=C(C)OCOP(OCOC(=O)OC(C)C)OCC1C=CC(n2cc(F)c(N)nc2=O)O1.CCC.

What is the InChIKey of [[5-(4-amino-5-fluoro-2-oxopyrimidin-1-yl)-2,5-dihydrofuran-2-yl]methoxy-(prop-1-en-2-yloxymethoxy)phosphanyl]oxymethyl propan-2-yl carbonate;propane?

The InChIKey is HPUURDZFCCFYNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25FN3O9P.C3H8/c1-11(2)25-9-28-32(29-10-26-18(24)30-12(3)4)27-8-13-5-6-15(31-13)22-7-14(19)16(20)21-17(22)23;1-3-2/h5-7,12-13,15H,1,8-10H2,2-4H3,(H2,20,21,23);3H2,1-2H3.

What are the key properties of [[5-(4-amino-5-fluoro-2-oxopyrimidin-1-yl)-2,5-dihydrofuran-2-yl]methoxy-(prop-1-en-2-yloxymethoxy)phosphanyl]oxymethyl propan-2-yl carbonate;propane?

[[5-(4-amino-5-fluoro-2-oxopyrimidin-1-yl)-2,5-dihydrofuran-2-yl]methoxy-(prop-1-en-2-yloxymethoxy)phosphanyl]oxymethyl propan-2-yl carbonate;propane has a molecular weight of 521.48 g/mol, XLogP of 4.14, 12 rotatable bonds, 1 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for [[5-(4-amino-5-fluoro-2-oxopyrimidin-1-yl)-2,5-dihydrofuran-2-yl]methoxy-(prop-1-en-2-yloxymethoxy)phosphanyl]oxymethyl propan-2-yl carbonate;propane is sourced from PubChem (CID 171628809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).