7-[(2R,4R,5R)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-hydroxyoxolan-2-yl]-1H-pyrrolo[2,3-d]pyrimidine-2,4-dione

C32H31N3O7 — CID 71433804

About 7-[(2R,4R,5R)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-hydroxyoxolan-2-yl]-1H-pyrrolo[2,3-d]pyrimidine-2,4-dione

7-[(2R,4R,5R)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-hydroxyoxolan-2-yl]-1H-pyrrolo[2,3-d]pyrimidine-2,4-dione (PubChem CID 71433804) has the molecular formula C32H31N3O7 and a molecular weight of 569.61 g/mol. Its IUPAC name is 7-[(2R,4R,5R)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-hydroxyoxolan-2-yl]-1H-pyrrolo[2,3-d]pyrimidine-2,4-dione.

Molecular Properties

• Compound Name: 7-[(2R,4R,5R)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-hydroxyoxolan-2-yl]-1H-pyrrolo[2,3-d]pyrimidine-2,4-dione
• PubChem CID: 71433804
• Molecular Formula: C32H31N3O7
• Molecular Weight: 569.61 g/mol
• Exact Mass: 569.22
• IUPAC Name: 7-[(2R,4R,5R)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-hydroxyoxolan-2-yl]-1H-pyrrolo[2,3-d]pyrimidine-2,4-dione
• SMILES: COc1ccc(C(OC[C@H]2O[C@@H](n3ccc4c(=O)[nH]c(=O)[nH]c43)C[C@H]2O)(c2ccccc2)c2ccc(OC)cc2)cc1
• InChI: InChI=1S/C32H31N3O7/c1-39-23-12-8-21(9-13-23)32(20-6-4-3-5-7-20,22-10-14-24(40-2)15-11-22)41-19-27-26(36)18-28(42-27)35-17-16-25-29(35)33-31(38)34-30(25)37/h3-17,26-28,36H,18-19H2,1-2H3,(H2,33,34,37,38)/t26-,27-,28-/m1/s1
• InChIKey: GBRCVBCLGPKOIS-JCYYIGJDSA-N
• XLogP: 3.69
• TPSA: 127.80 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 9
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	569.61
LogP ≤ 5	3.69
H-Bond Donors ≤ 5	3
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 7-[(2R,4R,5R)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-hydroxyoxolan-2-yl]-1H-pyrrolo[2,3-d]pyrimidine-2,4-dione?

The IUPAC name of 7-[(2R,4R,5R)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-hydroxyoxolan-2-yl]-1H-pyrrolo[2,3-d]pyrimidine-2,4-dione (CID 71433804) is 7-[(2R,4R,5R)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-hydroxyoxolan-2-yl]-1H-pyrrolo[2,3-d]pyrimidine-2,4-dione.

What is the SMILES notation for 7-[(2R,4R,5R)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-hydroxyoxolan-2-yl]-1H-pyrrolo[2,3-d]pyrimidine-2,4-dione?

The canonical SMILES for 7-[(2R,4R,5R)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-hydroxyoxolan-2-yl]-1H-pyrrolo[2,3-d]pyrimidine-2,4-dione is COc1ccc(C(OC[C@H]2O[C@@H](n3ccc4c(=O)[nH]c(=O)[nH]c43)C[C@H]2O)(c2ccccc2)c2ccc(OC)cc2)cc1.

What is the InChIKey of 7-[(2R,4R,5R)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-hydroxyoxolan-2-yl]-1H-pyrrolo[2,3-d]pyrimidine-2,4-dione?

The InChIKey is GBRCVBCLGPKOIS-JCYYIGJDSA-N. The full InChI is InChI=1S/C32H31N3O7/c1-39-23-12-8-21(9-13-23)32(20-6-4-3-5-7-20,22-10-14-24(40-2)15-11-22)41-19-27-26(36)18-28(42-27)35-17-16-25-29(35)33-31(38)34-30(25)37/h3-17,26-28,36H,18-19H2,1-2H3,(H2,33,34,37,38)/t26-,27-,28-/m1/s1.

What are the key properties of 7-[(2R,4R,5R)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-hydroxyoxolan-2-yl]-1H-pyrrolo[2,3-d]pyrimidine-2,4-dione?

7-[(2R,4R,5R)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-hydroxyoxolan-2-yl]-1H-pyrrolo[2,3-d]pyrimidine-2,4-dione has a molecular weight of 569.61 g/mol, XLogP of 3.69, 9 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 7-[(2R,4R,5R)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-hydroxyoxolan-2-yl]-1H-pyrrolo[2,3-d]pyrimidine-2,4-dione is sourced from PubChem (CID 71433804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).