3-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-6-[(4-tritylphenoxy)methyl]furo[2,3-d]pyrimidin-2-one

C37H32N2O6 — CID 102251372

About 3-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-6-[(4-tritylphenoxy)methyl]furo[2,3-d]pyrimidin-2-one

3-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-6-[(4-tritylphenoxy)methyl]furo[2,3-d]pyrimidin-2-one (PubChem CID 102251372) has the molecular formula C37H32N2O6 and a molecular weight of 600.67 g/mol. Its IUPAC name is 3-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-6-[(4-tritylphenoxy)methyl]furo[2,3-d]pyrimidin-2-one.

Molecular Properties

• Compound Name: 3-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-6-[(4-tritylphenoxy)methyl]furo[2,3-d]pyrimidin-2-one
• PubChem CID: 102251372
• Molecular Formula: C37H32N2O6
• Molecular Weight: 600.67 g/mol
• Exact Mass: 600.23
• IUPAC Name: 3-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-6-[(4-tritylphenoxy)methyl]furo[2,3-d]pyrimidin-2-one
• SMILES: O=c1nc2oc(COc3ccc(C(c4ccccc4)(c4ccccc4)c4ccccc4)cc3)cc2cn1[C@H]1C[C@H](O)[C@@H](CO)O1
• InChI: InChI=1S/C37H32N2O6/c40-23-33-32(41)21-34(45-33)39-22-25-20-31(44-35(25)38-36(39)42)24-43-30-18-16-29(17-19-30)37(26-10-4-1-5-11-26,27-12-6-2-7-13-27)28-14-8-3-9-15-28/h1-20,22,32-34,40-41H,21,23-24H2/t32-,33+,34+/m0/s1
• InChIKey: GOLDWUOZPAUZLZ-LBFZIJHGSA-N
• XLogP: 5.59
• TPSA: 106.95 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 9
• Heavy Atoms: 45
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	600.67
LogP ≤ 5	5.59
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-6-[(4-tritylphenoxy)methyl]furo[2,3-d]pyrimidin-2-one?

The IUPAC name of 3-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-6-[(4-tritylphenoxy)methyl]furo[2,3-d]pyrimidin-2-one (CID 102251372) is 3-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-6-[(4-tritylphenoxy)methyl]furo[2,3-d]pyrimidin-2-one.

What is the SMILES notation for 3-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-6-[(4-tritylphenoxy)methyl]furo[2,3-d]pyrimidin-2-one?

The canonical SMILES for 3-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-6-[(4-tritylphenoxy)methyl]furo[2,3-d]pyrimidin-2-one is O=c1nc2oc(COc3ccc(C(c4ccccc4)(c4ccccc4)c4ccccc4)cc3)cc2cn1[C@H]1C[C@H](O)[C@@H](CO)O1.

What is the InChIKey of 3-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-6-[(4-tritylphenoxy)methyl]furo[2,3-d]pyrimidin-2-one?

The InChIKey is GOLDWUOZPAUZLZ-LBFZIJHGSA-N. The full InChI is InChI=1S/C37H32N2O6/c40-23-33-32(41)21-34(45-33)39-22-25-20-31(44-35(25)38-36(39)42)24-43-30-18-16-29(17-19-30)37(26-10-4-1-5-11-26,27-12-6-2-7-13-27)28-14-8-3-9-15-28/h1-20,22,32-34,40-41H,21,23-24H2/t32-,33+,34+/m0/s1.

What are the key properties of 3-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-6-[(4-tritylphenoxy)methyl]furo[2,3-d]pyrimidin-2-one?

3-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-6-[(4-tritylphenoxy)methyl]furo[2,3-d]pyrimidin-2-one has a molecular weight of 600.67 g/mol, XLogP of 5.59, 9 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-6-[(4-tritylphenoxy)methyl]furo[2,3-d]pyrimidin-2-one is sourced from PubChem (CID 102251372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).