[(2R,3R,4R,5R)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-[tert-butyl(dimethyl)silyl]oxy-5-(2,4-dioxopyrimidin-1-yl)oxolan-3-yl] [(2R,3R,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3-hydroxy-4-tri(propan-2-yl)silyloxyoxolan-2-yl]methyl methyl phosphate

C55H77N4O16PSi2 — CID 53355849

IUPAC[(2R,3R,4R,5R)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-[tert-butyl(dimethyl)silyl]oxy-5-(2,4-dioxopyrimidin-1-yl)oxolan-3-yl] [(2R,3R,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3-hydroxy-4-tri(propan-2-yl)silyloxyoxolan-2-yl]methyl methyl phosphate
SMILESCOc1ccc(C(OC[C@H]2O[C@@H](n3ccc(=O)[nH]c3=O)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]2OP(=O)(OC)OC[C@H]2O[C@@H](n3ccc(=O)[nH]c3=O)[C@H](O[Si](C(C)C)(C(C)C)C(C)C)[C@@H]2O)(c2ccccc2)c2ccc(OC)cc2)cc1
InChIInChI=1S/C55H77N4O16PSi2/c1-34(2)78(35(3)4,36(5)6)75-48-46(62)42(71-50(48)58-30-28-44(60)56-52(58)63)33-70-76(65,68-12)73-47-43(72-51(59-31-29-45(61)57-53(59)64)49(47)74-77(13,14)54(7,8)9)32-69-55(37-18-16-15-17-19-37,38-20-24-40(66-10)25-21-38)39-22-26-41(67-11)27-23-39/h15-31,34-36,42-43,46-51,62H,32-33H2,1-14H3,(H,56,60,63)(H,57,61,64)/t42-,43-,46-,47-,48-,49-,50-,51-,76?/m1/s1
InChIKeyPGTRKDUYTXWHAL-XIWQUPCVSA-N
MW1137.38 g/mol
LogP8.38
Rot. Bonds23

About [(2R,3R,4R,5R)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-[tert-butyl(dimethyl)silyl]oxy-5-(2,4-dioxopyrimidin-1-yl)oxolan-3-yl] [(2R,3R,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3-hydroxy-4-tri(propan-2-yl)silyloxyoxolan-2-yl]methyl methyl phosphate

[(2R,3R,4R,5R)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-[tert-butyl(dimethyl)silyl]oxy-5-(2,4-dioxopyrimidin-1-yl)oxolan-3-yl] [(2R,3R,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3-hydroxy-4-tri(propan-2-yl)silyloxyoxolan-2-yl]methyl methyl phosphate (PubChem CID 53355849) has the molecular formula C55H77N4O16PSi2 and a molecular weight of 1137.38 g/mol. Its IUPAC name is [(2R,3R,4R,5R)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-[tert-butyl(dimethyl)silyl]oxy-5-(2,4-dioxopyrimidin-1-yl)oxolan-3-yl] [(2R,3R,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3-hydroxy-4-tri(propan-2-yl)silyloxyoxolan-2-yl]methyl methyl phosphate.

Molecular Properties

Compound Name[(2R,3R,4R,5R)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-[tert-butyl(dimethyl)silyl]oxy-5-(2,4-dioxopyrimidin-1-yl)oxolan-3-yl] [(2R,3R,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3-hydroxy-4-tri(propan-2-yl)silyloxyoxolan-2-yl]methyl methyl phosphate
PubChem CID53355849
Molecular FormulaC55H77N4O16PSi2
Molecular Weight1137.38 g/mol
Exact Mass1136.46
IUPAC Name[(2R,3R,4R,5R)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-[tert-butyl(dimethyl)silyl]oxy-5-(2,4-dioxopyrimidin-1-yl)oxolan-3-yl] [(2R,3R,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3-hydroxy-4-tri(propan-2-yl)silyloxyoxolan-2-yl]methyl methyl phosphate
SMILESCOc1ccc(C(OC[C@H]2O[C@@H](n3ccc(=O)[nH]c3=O)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]2OP(=O)(OC)OC[C@H]2O[C@@H](n3ccc(=O)[nH]c3=O)[C@H](O[Si](C(C)C)(C(C)C)C(C)C)[C@@H]2O)(c2ccccc2)c2ccc(OC)cc2)cc1
InChIInChI=1S/C55H77N4O16PSi2/c1-34(2)78(35(3)4,36(5)6)75-48-46(62)42(71-50(48)58-30-28-44(60)56-52(58)63)33-70-76(65,68-12)73-47-43(72-51(59-31-29-45(61)57-53(59)64)49(47)74-77(13,14)54(7,8)9)32-69-55(37-18-16-15-17-19-37,38-20-24-40(66-10)25-21-38)39-22-26-41(67-11)27-23-39/h15-31,34-36,42-43,46-51,62H,32-33H2,1-14H3,(H,56,60,63)(H,57,61,64)/t42-,43-,46-,47-,48-,49-,50-,51-,76?/m1/s1
InChIKeyPGTRKDUYTXWHAL-XIWQUPCVSA-N
XLogP8.38
TPSA239.32 Ų
H-Bond Donors3
H-Bond Acceptors18
Rotatable Bonds23
Heavy Atoms78
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001137.38
LogP ≤ 58.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1018

Computed Properties (RDKit)

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

Analyze [(2R,3R,4R,5R)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-[tert-butyl(dimethyl)silyl]oxy-5-(2,4-dioxopyrimidin-1-yl)oxolan-3-yl] [(2R,3R,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3-hydroxy-4-tri(propan-2-yl)silyloxyoxolan-2-yl]methyl methyl phosphate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[(2R,3R,4R,5R)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-hydroxy-3-methoxyoxolan-2-yl]pyrimidine-2,4-dione
CID 11039002
1-[(2R,3S,4R,5R)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-hydroxy-3-methoxyoxolan-2-yl]pyrimidine-2,4-dione
CID 68760496
1-[(2R,3R,4S,5S)-3-[tert-butyl(dimethyl)silyl]oxy-4-(hydroxymethyl)-5-[[(4-methoxyphenyl)-diphenylmethoxy]methyl]oxolan-2-yl]pyrimidine-2,4-dione
CID 10995850
[(2R,3R,4R,5R)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-[tert-butyl(dimethyl)silyl]oxy-5-(2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxy-oxo-sulfanylphosphanium
CID 14606957
2-[(2S,3R,4R,5R)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-[tert-butyl(dimethyl)silyl]oxy-5-(2,4-dioxopyrimidin-1-yl)oxolan-3-yl]acetic acid
CID 10794847
1-[(2R,3R,4S,5R)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-[tert-butyl(dimethyl)silyl]oxy-3-(methoxyamino)oxolan-2-yl]pyrimidine-2,4-dione
CID 10652222
[(2S,3R,4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-(2,4-dioxopyrimidin-1-yl)-2-[[(4-methoxyphenyl)-diphenylmethoxy]methyl]oxolan-3-yl]methyl trifluoromethanesulfonate
CID 10930744
1-[(2S,3R,4R,5S)-3,4-dihydroxy-5-[[(4-methoxyphenyl)-diphenylmethoxy]methyl]oxolan-2-yl]pyrimidine-2,4-dione
CID 124898084
1-[(2R,3S,4R,5S)-3,4-dihydroxy-5-[[(4-methoxyphenyl)-diphenylmethoxy]methyl]oxolan-2-yl]pyrimidine-2,4-dione
CID 51689230
1-[(2R,3R,4R,5R)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-3-[tert-butyl(dimethyl)silyl]oxy-4-hydroxyoxolan-2-yl]-5-iodopyrimidine-2,4-dione
CID 25228521
1-[(2R,3R,4S,5R)-4-hydroxy-3-[(1S)-1-hydroxyethyl]-5-[[(4-methoxyphenyl)-diphenylmethoxy]methyl]oxolan-2-yl]pyrimidine-2,4-dione
CID 10674089
[(2R,3R,4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-(2,4-dioxopyrimidin-1-yl)-2-(trityloxymethyl)oxolan-3-yl] dihydrogen phosphite
CID 71623391

Frequently Asked Questions

What is the IUPAC name of [(2R,3R,4R,5R)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-[tert-butyl(dimethyl)silyl]oxy-5-(2,4-dioxopyrimidin-1-yl)oxolan-3-yl] [(2R,3R,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3-hydroxy-4-tri(propan-2-yl)silyloxyoxolan-2-yl]methyl methyl phosphate?
The IUPAC name of [(2R,3R,4R,5R)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-[tert-butyl(dimethyl)silyl]oxy-5-(2,4-dioxopyrimidin-1-yl)oxolan-3-yl] [(2R,3R,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3-hydroxy-4-tri(propan-2-yl)silyloxyoxolan-2-yl]methyl methyl phosphate (CID 53355849) is [(2R,3R,4R,5R)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-[tert-butyl(dimethyl)silyl]oxy-5-(2,4-dioxopyrimidin-1-yl)oxolan-3-yl] [(2R,3R,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3-hydroxy-4-tri(propan-2-yl)silyloxyoxolan-2-yl]methyl methyl phosphate.
What is the SMILES notation for [(2R,3R,4R,5R)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-[tert-butyl(dimethyl)silyl]oxy-5-(2,4-dioxopyrimidin-1-yl)oxolan-3-yl] [(2R,3R,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3-hydroxy-4-tri(propan-2-yl)silyloxyoxolan-2-yl]methyl methyl phosphate?
The canonical SMILES for [(2R,3R,4R,5R)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-[tert-butyl(dimethyl)silyl]oxy-5-(2,4-dioxopyrimidin-1-yl)oxolan-3-yl] [(2R,3R,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3-hydroxy-4-tri(propan-2-yl)silyloxyoxolan-2-yl]methyl methyl phosphate is COc1ccc(C(OC[C@H]2O[C@@H](n3ccc(=O)[nH]c3=O)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]2OP(=O)(OC)OC[C@H]2O[C@@H](n3ccc(=O)[nH]c3=O)[C@H](O[Si](C(C)C)(C(C)C)C(C)C)[C@@H]2O)(c2ccccc2)c2ccc(OC)cc2)cc1.
What is the InChIKey of [(2R,3R,4R,5R)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-[tert-butyl(dimethyl)silyl]oxy-5-(2,4-dioxopyrimidin-1-yl)oxolan-3-yl] [(2R,3R,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3-hydroxy-4-tri(propan-2-yl)silyloxyoxolan-2-yl]methyl methyl phosphate?
The InChIKey is PGTRKDUYTXWHAL-XIWQUPCVSA-N. The full InChI is InChI=1S/C55H77N4O16PSi2/c1-34(2)78(35(3)4,36(5)6)75-48-46(62)42(71-50(48)58-30-28-44(60)56-52(58)63)33-70-76(65,68-12)73-47-43(72-51(59-31-29-45(61)57-53(59)64)49(47)74-77(13,14)54(7,8)9)32-69-55(37-18-16-15-17-19-37,38-20-24-40(66-10)25-21-38)39-22-26-41(67-11)27-23-39/h15-31,34-36,42-43,46-51,62H,32-33H2,1-14H3,(H,56,60,63)(H,57,61,64)/t42-,43-,46-,47-,48-,49-,50-,51-,76?/m1/s1.
What are the key properties of [(2R,3R,4R,5R)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-[tert-butyl(dimethyl)silyl]oxy-5-(2,4-dioxopyrimidin-1-yl)oxolan-3-yl] [(2R,3R,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3-hydroxy-4-tri(propan-2-yl)silyloxyoxolan-2-yl]methyl methyl phosphate?
[(2R,3R,4R,5R)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-[tert-butyl(dimethyl)silyl]oxy-5-(2,4-dioxopyrimidin-1-yl)oxolan-3-yl] [(2R,3R,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3-hydroxy-4-tri(propan-2-yl)silyloxyoxolan-2-yl]methyl methyl phosphate has a molecular weight of 1137.38 g/mol, XLogP of 8.38, 23 rotatable bonds, 3 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3R,4R,5R)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-[tert-butyl(dimethyl)silyl]oxy-5-(2,4-dioxopyrimidin-1-yl)oxolan-3-yl] [(2R,3R,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3-hydroxy-4-tri(propan-2-yl)silyloxyoxolan-2-yl]methyl methyl phosphate is sourced from PubChem (CID 53355849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).