benzyl N-[1-[(2R,4S,5R)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-hydroxyoxolan-2-yl]-2-oxopyrimidin-4-yl]carbamate

C38H37N3O8 — CID 10484528

About benzyl N-[1-[(2R,4S,5R)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-hydroxyoxolan-2-yl]-2-oxopyrimidin-4-yl]carbamate

benzyl N-[1-[(2R,4S,5R)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-hydroxyoxolan-2-yl]-2-oxopyrimidin-4-yl]carbamate (PubChem CID 10484528) has the molecular formula C38H37N3O8 and a molecular weight of 663.73 g/mol. Its IUPAC name is benzyl N-[1-[(2R,4S,5R)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-hydroxyoxolan-2-yl]-2-oxopyrimidin-4-yl]carbamate.

Molecular Properties

• Compound Name: benzyl N-[1-[(2R,4S,5R)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-hydroxyoxolan-2-yl]-2-oxopyrimidin-4-yl]carbamate
• PubChem CID: 10484528
• Molecular Formula: C38H37N3O8
• Molecular Weight: 663.73 g/mol
• Exact Mass: 663.26
• IUPAC Name: benzyl N-[1-[(2R,4S,5R)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-hydroxyoxolan-2-yl]-2-oxopyrimidin-4-yl]carbamate
• SMILES: COc1ccc(C(OC[C@H]2O[C@@H](n3ccc(NC(=O)OCc4ccccc4)nc3=O)C[C@@H]2O)(c2ccccc2)c2ccc(OC)cc2)cc1
• InChI: InChI=1S/C38H37N3O8/c1-45-30-17-13-28(14-18-30)38(27-11-7-4-8-12-27,29-15-19-31(46-2)20-16-29)48-25-33-32(42)23-35(49-33)41-22-21-34(39-36(41)43)40-37(44)47-24-26-9-5-3-6-10-26/h3-22,32-33,35,42H,23-25H2,1-2H3,(H,39,40,43,44)/t32-,33+,35+/m0/s1
• InChIKey: QIAUWOVPABNQAI-VUHKNJSWSA-N
• XLogP: 5.67
• TPSA: 130.37 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 12
• Heavy Atoms: 49
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	663.73
LogP ≤ 5	5.67
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of benzyl N-[1-[(2R,4S,5R)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-hydroxyoxolan-2-yl]-2-oxopyrimidin-4-yl]carbamate?

The IUPAC name of benzyl N-[1-[(2R,4S,5R)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-hydroxyoxolan-2-yl]-2-oxopyrimidin-4-yl]carbamate (CID 10484528) is benzyl N-[1-[(2R,4S,5R)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-hydroxyoxolan-2-yl]-2-oxopyrimidin-4-yl]carbamate.

What is the SMILES notation for benzyl N-[1-[(2R,4S,5R)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-hydroxyoxolan-2-yl]-2-oxopyrimidin-4-yl]carbamate?

The canonical SMILES for benzyl N-[1-[(2R,4S,5R)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-hydroxyoxolan-2-yl]-2-oxopyrimidin-4-yl]carbamate is COc1ccc(C(OC[C@H]2O[C@@H](n3ccc(NC(=O)OCc4ccccc4)nc3=O)C[C@@H]2O)(c2ccccc2)c2ccc(OC)cc2)cc1.

What is the InChIKey of benzyl N-[1-[(2R,4S,5R)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-hydroxyoxolan-2-yl]-2-oxopyrimidin-4-yl]carbamate?

The InChIKey is QIAUWOVPABNQAI-VUHKNJSWSA-N. The full InChI is InChI=1S/C38H37N3O8/c1-45-30-17-13-28(14-18-30)38(27-11-7-4-8-12-27,29-15-19-31(46-2)20-16-29)48-25-33-32(42)23-35(49-33)41-22-21-34(39-36(41)43)40-37(44)47-24-26-9-5-3-6-10-26/h3-22,32-33,35,42H,23-25H2,1-2H3,(H,39,40,43,44)/t32-,33+,35+/m0/s1.

What are the key properties of benzyl N-[1-[(2R,4S,5R)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-hydroxyoxolan-2-yl]-2-oxopyrimidin-4-yl]carbamate?

benzyl N-[1-[(2R,4S,5R)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-hydroxyoxolan-2-yl]-2-oxopyrimidin-4-yl]carbamate has a molecular weight of 663.73 g/mol, XLogP of 5.67, 12 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for benzyl N-[1-[(2R,4S,5R)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-hydroxyoxolan-2-yl]-2-oxopyrimidin-4-yl]carbamate is sourced from PubChem (CID 10484528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).