1-[(2R,4S,5R)-4-hydroxy-5-[[(2-methoxyphenyl)-diphenylmethoxy]methyl]oxolan-2-yl]-5-methylpyrimidine-2,4-dione

C30H30N2O6 — CID 67748612

About 1-[(2R,4S,5R)-4-hydroxy-5-[[(2-methoxyphenyl)-diphenylmethoxy]methyl]oxolan-2-yl]-5-methylpyrimidine-2,4-dione

1-[(2R,4S,5R)-4-hydroxy-5-[[(2-methoxyphenyl)-diphenylmethoxy]methyl]oxolan-2-yl]-5-methylpyrimidine-2,4-dione (PubChem CID 67748612) has the molecular formula C30H30N2O6 and a molecular weight of 514.58 g/mol. Its IUPAC name is 1-[(2R,4S,5R)-4-hydroxy-5-[[(2-methoxyphenyl)-diphenylmethoxy]methyl]oxolan-2-yl]-5-methylpyrimidine-2,4-dione.

Molecular Properties

• Compound Name: 1-[(2R,4S,5R)-4-hydroxy-5-[[(2-methoxyphenyl)-diphenylmethoxy]methyl]oxolan-2-yl]-5-methylpyrimidine-2,4-dione
• PubChem CID: 67748612
• Molecular Formula: C30H30N2O6
• Molecular Weight: 514.58 g/mol
• Exact Mass: 514.21
• IUPAC Name: 1-[(2R,4S,5R)-4-hydroxy-5-[[(2-methoxyphenyl)-diphenylmethoxy]methyl]oxolan-2-yl]-5-methylpyrimidine-2,4-dione
• SMILES: COc1ccccc1C(OC[C@H]1O[C@@H](n2cc(C)c(=O)[nH]c2=O)C[C@@H]1O)(c1ccccc1)c1ccccc1
• InChI: InChI=1S/C30H30N2O6/c1-20-18-32(29(35)31-28(20)34)27-17-24(33)26(38-27)19-37-30(21-11-5-3-6-12-21,22-13-7-4-8-14-22)23-15-9-10-16-25(23)36-2/h3-16,18,24,26-27,33H,17,19H2,1-2H3,(H,31,34,35)/t24-,26+,27+/m0/s1
• InChIKey: QDZUTSSXLZJIDF-WYMJOSIYSA-N
• XLogP: 3.51
• TPSA: 102.78 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	514.58
LogP ≤ 5	3.51
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-[(2R,4S,5R)-4-hydroxy-5-[[(2-methoxyphenyl)-diphenylmethoxy]methyl]oxolan-2-yl]-5-methylpyrimidine-2,4-dione?

The IUPAC name of 1-[(2R,4S,5R)-4-hydroxy-5-[[(2-methoxyphenyl)-diphenylmethoxy]methyl]oxolan-2-yl]-5-methylpyrimidine-2,4-dione (CID 67748612) is 1-[(2R,4S,5R)-4-hydroxy-5-[[(2-methoxyphenyl)-diphenylmethoxy]methyl]oxolan-2-yl]-5-methylpyrimidine-2,4-dione.

What is the SMILES notation for 1-[(2R,4S,5R)-4-hydroxy-5-[[(2-methoxyphenyl)-diphenylmethoxy]methyl]oxolan-2-yl]-5-methylpyrimidine-2,4-dione?

The canonical SMILES for 1-[(2R,4S,5R)-4-hydroxy-5-[[(2-methoxyphenyl)-diphenylmethoxy]methyl]oxolan-2-yl]-5-methylpyrimidine-2,4-dione is COc1ccccc1C(OC[C@H]1O[C@@H](n2cc(C)c(=O)[nH]c2=O)C[C@@H]1O)(c1ccccc1)c1ccccc1.

What is the InChIKey of 1-[(2R,4S,5R)-4-hydroxy-5-[[(2-methoxyphenyl)-diphenylmethoxy]methyl]oxolan-2-yl]-5-methylpyrimidine-2,4-dione?

The InChIKey is QDZUTSSXLZJIDF-WYMJOSIYSA-N. The full InChI is InChI=1S/C30H30N2O6/c1-20-18-32(29(35)31-28(20)34)27-17-24(33)26(38-27)19-37-30(21-11-5-3-6-12-21,22-13-7-4-8-14-22)23-15-9-10-16-25(23)36-2/h3-16,18,24,26-27,33H,17,19H2,1-2H3,(H,31,34,35)/t24-,26+,27+/m0/s1.

What are the key properties of 1-[(2R,4S,5R)-4-hydroxy-5-[[(2-methoxyphenyl)-diphenylmethoxy]methyl]oxolan-2-yl]-5-methylpyrimidine-2,4-dione?

1-[(2R,4S,5R)-4-hydroxy-5-[[(2-methoxyphenyl)-diphenylmethoxy]methyl]oxolan-2-yl]-5-methylpyrimidine-2,4-dione has a molecular weight of 514.58 g/mol, XLogP of 3.51, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[(2R,4S,5R)-4-hydroxy-5-[[(2-methoxyphenyl)-diphenylmethoxy]methyl]oxolan-2-yl]-5-methylpyrimidine-2,4-dione is sourced from PubChem (CID 67748612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).