1-[(2R,3R,4R,5R)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-3-[tert-butyl(dimethyl)silyl]oxy-4-hydroxyoxolan-2-yl]-6,7-dimethoxyquinazoline-2,4-dione

C42H50N2O10Si — CID 154320360

About 1-[(2R,3R,4R,5R)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-3-[tert-butyl(dimethyl)silyl]oxy-4-hydroxyoxolan-2-yl]-6,7-dimethoxyquinazoline-2,4-dione

1-[(2R,3R,4R,5R)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-3-[tert-butyl(dimethyl)silyl]oxy-4-hydroxyoxolan-2-yl]-6,7-dimethoxyquinazoline-2,4-dione (PubChem CID 154320360) has the molecular formula C42H50N2O10Si and a molecular weight of 770.95 g/mol. Its IUPAC name is 1-[(2R,3R,4R,5R)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-3-[tert-butyl(dimethyl)silyl]oxy-4-hydroxyoxolan-2-yl]-6,7-dimethoxyquinazoline-2,4-dione.

Molecular Properties

• Compound Name: 1-[(2R,3R,4R,5R)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-3-[tert-butyl(dimethyl)silyl]oxy-4-hydroxyoxolan-2-yl]-6,7-dimethoxyquinazoline-2,4-dione
• PubChem CID: 154320360
• Molecular Formula: C42H50N2O10Si
• Molecular Weight: 770.95 g/mol
• Exact Mass: 770.32
• IUPAC Name: 1-[(2R,3R,4R,5R)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-3-[tert-butyl(dimethyl)silyl]oxy-4-hydroxyoxolan-2-yl]-6,7-dimethoxyquinazoline-2,4-dione
• SMILES: COc1ccc(C(OC[C@H]2O[C@@H](n3c(=O)[nH]c(=O)c4cc(OC)c(OC)cc43)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]2O)(c2ccccc2)c2ccc(OC)cc2)cc1
• InChI: InChI=1S/C42H50N2O10Si/c1-41(2,3)55(8,9)54-37-36(45)35(53-39(37)44-32-24-34(51-7)33(50-6)23-31(32)38(46)43-40(44)47)25-52-42(26-13-11-10-12-14-26,27-15-19-29(48-4)20-16-27)28-17-21-30(49-5)22-18-28/h10-24,35-37,39,45H,25H2,1-9H3,(H,43,46,47)/t35-,36-,37-,39-/m1/s1
• InChIKey: PYOUDANWJZVGTK-QZVXKSRUSA-N
• XLogP: 6.38
• TPSA: 139.70 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 11
• Rotatable Bonds: 13
• Heavy Atoms: 55
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	770.95
LogP ≤ 5	6.38
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-[(2R,3R,4R,5R)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-3-[tert-butyl(dimethyl)silyl]oxy-4-hydroxyoxolan-2-yl]-6,7-dimethoxyquinazoline-2,4-dione?

The IUPAC name of 1-[(2R,3R,4R,5R)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-3-[tert-butyl(dimethyl)silyl]oxy-4-hydroxyoxolan-2-yl]-6,7-dimethoxyquinazoline-2,4-dione (CID 154320360) is 1-[(2R,3R,4R,5R)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-3-[tert-butyl(dimethyl)silyl]oxy-4-hydroxyoxolan-2-yl]-6,7-dimethoxyquinazoline-2,4-dione.

What is the SMILES notation for 1-[(2R,3R,4R,5R)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-3-[tert-butyl(dimethyl)silyl]oxy-4-hydroxyoxolan-2-yl]-6,7-dimethoxyquinazoline-2,4-dione?

The canonical SMILES for 1-[(2R,3R,4R,5R)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-3-[tert-butyl(dimethyl)silyl]oxy-4-hydroxyoxolan-2-yl]-6,7-dimethoxyquinazoline-2,4-dione is COc1ccc(C(OC[C@H]2O[C@@H](n3c(=O)[nH]c(=O)c4cc(OC)c(OC)cc43)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]2O)(c2ccccc2)c2ccc(OC)cc2)cc1.

What is the InChIKey of 1-[(2R,3R,4R,5R)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-3-[tert-butyl(dimethyl)silyl]oxy-4-hydroxyoxolan-2-yl]-6,7-dimethoxyquinazoline-2,4-dione?

The InChIKey is PYOUDANWJZVGTK-QZVXKSRUSA-N. The full InChI is InChI=1S/C42H50N2O10Si/c1-41(2,3)55(8,9)54-37-36(45)35(53-39(37)44-32-24-34(51-7)33(50-6)23-31(32)38(46)43-40(44)47)25-52-42(26-13-11-10-12-14-26,27-15-19-29(48-4)20-16-27)28-17-21-30(49-5)22-18-28/h10-24,35-37,39,45H,25H2,1-9H3,(H,43,46,47)/t35-,36-,37-,39-/m1/s1.

What are the key properties of 1-[(2R,3R,4R,5R)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-3-[tert-butyl(dimethyl)silyl]oxy-4-hydroxyoxolan-2-yl]-6,7-dimethoxyquinazoline-2,4-dione?

1-[(2R,3R,4R,5R)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-3-[tert-butyl(dimethyl)silyl]oxy-4-hydroxyoxolan-2-yl]-6,7-dimethoxyquinazoline-2,4-dione has a molecular weight of 770.95 g/mol, XLogP of 6.38, 13 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[(2R,3R,4R,5R)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-3-[tert-butyl(dimethyl)silyl]oxy-4-hydroxyoxolan-2-yl]-6,7-dimethoxyquinazoline-2,4-dione is sourced from PubChem (CID 154320360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).