6-amino-3-[(2R,4S,5R)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-[phenyl-di(propan-2-yl)silyl]oxyoxolan-2-yl]-6-(3,4,5-trioctadecoxybenzoyl)-1H-pyrimidin-2-one

C103H163N3O10Si — CID 175749039

About 6-amino-3-[(2R,4S,5R)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-[phenyl-di(propan-2-yl)silyl]oxyoxolan-2-yl]-6-(3,4,5-trioctadecoxybenzoyl)-1H-pyrimidin-2-one

6-amino-3-[(2R,4S,5R)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-[phenyl-di(propan-2-yl)silyl]oxyoxolan-2-yl]-6-(3,4,5-trioctadecoxybenzoyl)-1H-pyrimidin-2-one (PubChem CID 175749039) has the molecular formula C103H163N3O10Si and a molecular weight of 1631.53 g/mol. Its IUPAC name is 6-amino-3-[(2R,4S,5R)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-[phenyl-di(propan-2-yl)silyl]oxyoxolan-2-yl]-6-(3,4,5-trioctadecoxybenzoyl)-1H-pyrimidin-2-one.

Molecular Properties

• Compound Name: 6-amino-3-[(2R,4S,5R)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-[phenyl-di(propan-2-yl)silyl]oxyoxolan-2-yl]-6-(3,4,5-trioctadecoxybenzoyl)-1H-pyrimidin-2-one
• PubChem CID: 175749039
• Molecular Formula: C103H163N3O10Si
• Molecular Weight: 1631.53 g/mol
• Exact Mass: 1630.21
• IUPAC Name: 6-amino-3-[(2R,4S,5R)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-[phenyl-di(propan-2-yl)silyl]oxyoxolan-2-yl]-6-(3,4,5-trioctadecoxybenzoyl)-1H-pyrimidin-2-one
• SMILES: CCCCCCCCCCCCCCCCCCOc1cc(C(=O)C2(N)C=CN([C@H]3C[C@H](O[Si](c4ccccc4)(C(C)C)C(C)C)[C@@H](COC(c4ccccc4)(c4ccc(OC)cc4)c4ccc(OC)cc4)O3)C(=O)N2)cc(OCCCCCCCCCCCCCCCCCC)c1OCCCCCCCCCCCCCCCCCC
• InChI: InChI=1S/C103H163N3O10Si/c1-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-61-78-111-95-81-87(82-96(112-79-62-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-2)99(95)113-80-63-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-3)100(107)102(104)76-77-106(101(108)105-102)98-83-94(116-117(85(4)5,86(6)7)93-66-59-56-60-67-93)97(115-98)84-114-103(88-64-57-55-58-65-88,89-68-72-91(109-8)73-69-89)90-70-74-92(110-9)75-71-90/h55-60,64-77,81-82,85-86,94,97-98H,10-54,61-63,78-80,83-84,104H2,1-9H3,(H,105,108)/t94-,97+,98+,102?/m0/s1
• InChIKey: OMPWNCMBGZWLGY-YBIJJYGTSA-N
• XLogP: 28.18
• TPSA: 149.27 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 11
• Rotatable Bonds: 70
• Heavy Atoms: 117
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1631.53
LogP ≤ 5	28.18
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 6-amino-3-[(2R,4S,5R)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-[phenyl-di(propan-2-yl)silyl]oxyoxolan-2-yl]-6-(3,4,5-trioctadecoxybenzoyl)-1H-pyrimidin-2-one?

The IUPAC name of 6-amino-3-[(2R,4S,5R)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-[phenyl-di(propan-2-yl)silyl]oxyoxolan-2-yl]-6-(3,4,5-trioctadecoxybenzoyl)-1H-pyrimidin-2-one (CID 175749039) is 6-amino-3-[(2R,4S,5R)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-[phenyl-di(propan-2-yl)silyl]oxyoxolan-2-yl]-6-(3,4,5-trioctadecoxybenzoyl)-1H-pyrimidin-2-one.

What is the SMILES notation for 6-amino-3-[(2R,4S,5R)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-[phenyl-di(propan-2-yl)silyl]oxyoxolan-2-yl]-6-(3,4,5-trioctadecoxybenzoyl)-1H-pyrimidin-2-one?

The canonical SMILES for 6-amino-3-[(2R,4S,5R)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-[phenyl-di(propan-2-yl)silyl]oxyoxolan-2-yl]-6-(3,4,5-trioctadecoxybenzoyl)-1H-pyrimidin-2-one is CCCCCCCCCCCCCCCCCCOc1cc(C(=O)C2(N)C=CN([C@H]3C[C@H](O[Si](c4ccccc4)(C(C)C)C(C)C)[C@@H](COC(c4ccccc4)(c4ccc(OC)cc4)c4ccc(OC)cc4)O3)C(=O)N2)cc(OCCCCCCCCCCCCCCCCCC)c1OCCCCCCCCCCCCCCCCCC.

What is the InChIKey of 6-amino-3-[(2R,4S,5R)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-[phenyl-di(propan-2-yl)silyl]oxyoxolan-2-yl]-6-(3,4,5-trioctadecoxybenzoyl)-1H-pyrimidin-2-one?

The InChIKey is OMPWNCMBGZWLGY-YBIJJYGTSA-N. The full InChI is InChI=1S/C103H163N3O10Si/c1-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-61-78-111-95-81-87(82-96(112-79-62-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-2)99(95)113-80-63-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-3)100(107)102(104)76-77-106(101(108)105-102)98-83-94(116-117(85(4)5,86(6)7)93-66-59-56-60-67-93)97(115-98)84-114-103(88-64-57-55-58-65-88,89-68-72-91(109-8)73-69-89)90-70-74-92(110-9)75-71-90/h55-60,64-77,81-82,85-86,94,97-98H,10-54,61-63,78-80,83-84,104H2,1-9H3,(H,105,108)/t94-,97+,98+,102?/m0/s1.

What are the key properties of 6-amino-3-[(2R,4S,5R)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-[phenyl-di(propan-2-yl)silyl]oxyoxolan-2-yl]-6-(3,4,5-trioctadecoxybenzoyl)-1H-pyrimidin-2-one?

6-amino-3-[(2R,4S,5R)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-[phenyl-di(propan-2-yl)silyl]oxyoxolan-2-yl]-6-(3,4,5-trioctadecoxybenzoyl)-1H-pyrimidin-2-one has a molecular weight of 1631.53 g/mol, XLogP of 28.18, 70 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 6-amino-3-[(2R,4S,5R)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-[phenyl-di(propan-2-yl)silyl]oxyoxolan-2-yl]-6-(3,4,5-trioctadecoxybenzoyl)-1H-pyrimidin-2-one is sourced from PubChem (CID 175749039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).