5-[[1-[(2R,4S,5R)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-hydroxyoxolan-2-yl]-5-methyl-2,4-dioxo-3-(2-trimethylsilylethoxymethyl)-1,3-diazinan-5-yl]methyl]-1-[(2R,4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-yl]-3-(2-trimethylsilylethoxymethyl)pyrimidine-2,4-dione

C65H102N4O14Si4 — CID 102195497

IUPAC5-[[1-[(2R,4S,5R)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-hydroxyoxolan-2-yl]-5-methyl-2,4-dioxo-3-(2-trimethylsilylethoxymethyl)-1,3-diazinan-5-yl]methyl]-1-[(2R,4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-yl]-3-(2-trimethylsilylethoxymethyl)pyrimidine-2,4-dione
SMILESCOc1ccc(C(OC[C@H]2O[C@@H](N3CC(C)(Cc4cn([C@H]5C[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](CO[Si](C)(C)C(C)(C)C)O5)c(=O)n(COCC[Si](C)(C)C)c4=O)C(=O)N(COCC[Si](C)(C)C)C3=O)C[C@@H]2O)(c2ccccc2)c2ccc(OC)cc2)cc1
InChIInChI=1S/C65H102N4O14Si4/c1-62(2,3)86(16,17)80-42-55-53(83-87(18,19)63(4,5)6)38-57(82-55)66-40-46(58(71)68(60(66)73)44-77-33-35-84(10,11)12)39-64(7)43-67(61(74)69(59(64)72)45-78-34-36-85(13,14)15)56-37-52(70)54(81-56)41-79-65(47-23-21-20-22-24-47,48-25-29-50(75-8)30-26-48)49-27-31-51(76-9)32-28-49/h20-32,40,52-57,70H,33-39,41-45H2,1-19H3/t52-,53-,54+,55+,56+,57+,64?/m0/s1
InChIKeyTVQCKSNNMFTKQT-MVFBGQMASA-N
MW1275.89 g/mol
LogP11.65
Rot. Bonds27

About 5-[[1-[(2R,4S,5R)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-hydroxyoxolan-2-yl]-5-methyl-2,4-dioxo-3-(2-trimethylsilylethoxymethyl)-1,3-diazinan-5-yl]methyl]-1-[(2R,4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-yl]-3-(2-trimethylsilylethoxymethyl)pyrimidine-2,4-dione

5-[[1-[(2R,4S,5R)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-hydroxyoxolan-2-yl]-5-methyl-2,4-dioxo-3-(2-trimethylsilylethoxymethyl)-1,3-diazinan-5-yl]methyl]-1-[(2R,4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-yl]-3-(2-trimethylsilylethoxymethyl)pyrimidine-2,4-dione (PubChem CID 102195497) has the molecular formula C65H102N4O14Si4 and a molecular weight of 1275.89 g/mol. Its IUPAC name is 5-[[1-[(2R,4S,5R)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-hydroxyoxolan-2-yl]-5-methyl-2,4-dioxo-3-(2-trimethylsilylethoxymethyl)-1,3-diazinan-5-yl]methyl]-1-[(2R,4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-yl]-3-(2-trimethylsilylethoxymethyl)pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-[[1-[(2R,4S,5R)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-hydroxyoxolan-2-yl]-5-methyl-2,4-dioxo-3-(2-trimethylsilylethoxymethyl)-1,3-diazinan-5-yl]methyl]-1-[(2R,4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-yl]-3-(2-trimethylsilylethoxymethyl)pyrimidine-2,4-dione
PubChem CID102195497
Molecular FormulaC65H102N4O14Si4
Molecular Weight1275.89 g/mol
Exact Mass1274.65
IUPAC Name5-[[1-[(2R,4S,5R)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-hydroxyoxolan-2-yl]-5-methyl-2,4-dioxo-3-(2-trimethylsilylethoxymethyl)-1,3-diazinan-5-yl]methyl]-1-[(2R,4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-yl]-3-(2-trimethylsilylethoxymethyl)pyrimidine-2,4-dione
SMILESCOc1ccc(C(OC[C@H]2O[C@@H](N3CC(C)(Cc4cn([C@H]5C[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](CO[Si](C)(C)C(C)(C)C)O5)c(=O)n(COCC[Si](C)(C)C)c4=O)C(=O)N(COCC[Si](C)(C)C)C3=O)C[C@@H]2O)(c2ccccc2)c2ccc(OC)cc2)cc1
InChIInChI=1S/C65H102N4O14Si4/c1-62(2,3)86(16,17)80-42-55-53(83-87(18,19)63(4,5)6)38-57(82-55)66-40-46(58(71)68(60(66)73)44-77-33-35-84(10,11)12)39-64(7)43-67(61(74)69(59(64)72)45-78-34-36-85(13,14)15)56-37-52(70)54(81-56)41-79-65(47-23-21-20-22-24-47,48-25-29-50(75-8)30-26-48)49-27-31-51(76-9)32-28-49/h20-32,40,52-57,70H,33-39,41-45H2,1-19H3/t52-,53-,54+,55+,56+,57+,64?/m0/s1
InChIKeyTVQCKSNNMFTKQT-MVFBGQMASA-N
XLogP11.65
TPSA187.92 Ų
H-Bond Donors1
H-Bond Acceptors16
Rotatable Bonds27
Heavy Atoms87
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001275.89
LogP ≤ 511.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1016

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'}

Analyze 5-[[1-[(2R,4S,5R)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-hydroxyoxolan-2-yl]-5-methyl-2,4-dioxo-3-(2-trimethylsilylethoxymethyl)-1,3-diazinan-5-yl]methyl]-1-[(2R,4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-yl]-3-(2-trimethylsilylethoxymethyl)pyrimidine-2,4-dione with MolForge

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Related Compounds

1-[(2R,4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-yl]-5-[[(5R)-1-[(2R,4R,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-hydroxyoxolan-2-yl]-5-methyl-2,4-dioxo-3-(phenylmethoxymethyl)-1,3-diazinan-5-yl]methyl]-3-(phenylmethoxymethyl)pyrimidine-2,4-dione
CID 135032514
1-[(2R,4S,5R)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-[tert-butyl(dimethyl)silyl]oxyoxolan-2-yl]-4-[7-[1-[(2R,4S,5R)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-[tert-butyl(dimethyl)silyl]oxyoxolan-2-yl]-5-methyl-2-oxopyrimidin-4-yl]oxyheptoxy]-5-methylpyrimidin-2-one
CID 66559321
1-[(2R,4S,5R)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-[2-[[(2R,3S,5R)-3-[tert-butyl(dimethyl)silyl]oxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxyamino]ethoxy]oxolan-2-yl]-5-methylpyrimidine-2,4-dione
CID 102452925
methyl 2-[3-[(2R,4S,5R)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-hydroxyoxolan-2-yl]-5-methyl-2,6-dioxopyrimidin-1-yl]acetate
CID 101194730
1-[(2R,4S,5R)-4-[bis(4-methoxyphenyl)-phenylmethoxy]-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-yl]-5-methyl-3-(2-phenylsulfanylethyl)pyrimidine-2,4-dione
CID 11556856
[(2R,3S,5R)-3-[tert-butyl(dimethyl)silyl]oxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-[(2R,3S,5R)-2-[[(4-methoxyphenyl)-diphenylmethoxy]methyl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]sulfanylphosphinic acid
CID 10440895
[(2R,3S,5R)-5-(3-benzoyl-5-methyl-2,4-dioxopyrimidin-1-yl)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]oxolan-3-yl]oxy-[[(2R,3S,5R)-3-[tert-butyl(dimethyl)silyl]oxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]-oxophosphanium
CID 177418348
1-[(2R,4S,5R)-4-[bis(4-methoxyphenyl)-phenylmethoxy]-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-yl]-5-methylpyrimidine-2,4-dione
CID 11556527
1-[(2R,4R,5S)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-hydroxyoxolan-2-yl]-5-methylpyrimidine-2,4-dione
CID 7072407
1-[(2R,4S,5S)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-[[(2R,3S,5R)-3-[tert-butyl(dimethyl)silyl]oxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methylsulfamoylamino]oxolan-2-yl]-5-methylpyrimidine-2,4-dione
CID 15332011
1-[(2R,4S,5R)-5-[[[(2R,3S,5R)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxy-prop-2-enoxyphosphinothioyl]oxymethyl]-4-[tert-butyl(dimethyl)silyl]oxyoxolan-2-yl]-5-methylpyrimidine-2,4-dione
CID 134976261
9-[(2R,4S)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[(4-methoxyphenyl)-diphenylmethoxy]methyl]oxolan-2-yl]-2-fluoropurin-6-amine
CID 174058210

Frequently Asked Questions

What is the IUPAC name of 5-[[1-[(2R,4S,5R)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-hydroxyoxolan-2-yl]-5-methyl-2,4-dioxo-3-(2-trimethylsilylethoxymethyl)-1,3-diazinan-5-yl]methyl]-1-[(2R,4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-yl]-3-(2-trimethylsilylethoxymethyl)pyrimidine-2,4-dione?
The IUPAC name of 5-[[1-[(2R,4S,5R)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-hydroxyoxolan-2-yl]-5-methyl-2,4-dioxo-3-(2-trimethylsilylethoxymethyl)-1,3-diazinan-5-yl]methyl]-1-[(2R,4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-yl]-3-(2-trimethylsilylethoxymethyl)pyrimidine-2,4-dione (CID 102195497) is 5-[[1-[(2R,4S,5R)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-hydroxyoxolan-2-yl]-5-methyl-2,4-dioxo-3-(2-trimethylsilylethoxymethyl)-1,3-diazinan-5-yl]methyl]-1-[(2R,4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-yl]-3-(2-trimethylsilylethoxymethyl)pyrimidine-2,4-dione.
What is the SMILES notation for 5-[[1-[(2R,4S,5R)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-hydroxyoxolan-2-yl]-5-methyl-2,4-dioxo-3-(2-trimethylsilylethoxymethyl)-1,3-diazinan-5-yl]methyl]-1-[(2R,4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-yl]-3-(2-trimethylsilylethoxymethyl)pyrimidine-2,4-dione?
The canonical SMILES for 5-[[1-[(2R,4S,5R)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-hydroxyoxolan-2-yl]-5-methyl-2,4-dioxo-3-(2-trimethylsilylethoxymethyl)-1,3-diazinan-5-yl]methyl]-1-[(2R,4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-yl]-3-(2-trimethylsilylethoxymethyl)pyrimidine-2,4-dione is COc1ccc(C(OC[C@H]2O[C@@H](N3CC(C)(Cc4cn([C@H]5C[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](CO[Si](C)(C)C(C)(C)C)O5)c(=O)n(COCC[Si](C)(C)C)c4=O)C(=O)N(COCC[Si](C)(C)C)C3=O)C[C@@H]2O)(c2ccccc2)c2ccc(OC)cc2)cc1.
What is the InChIKey of 5-[[1-[(2R,4S,5R)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-hydroxyoxolan-2-yl]-5-methyl-2,4-dioxo-3-(2-trimethylsilylethoxymethyl)-1,3-diazinan-5-yl]methyl]-1-[(2R,4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-yl]-3-(2-trimethylsilylethoxymethyl)pyrimidine-2,4-dione?
The InChIKey is TVQCKSNNMFTKQT-MVFBGQMASA-N. The full InChI is InChI=1S/C65H102N4O14Si4/c1-62(2,3)86(16,17)80-42-55-53(83-87(18,19)63(4,5)6)38-57(82-55)66-40-46(58(71)68(60(66)73)44-77-33-35-84(10,11)12)39-64(7)43-67(61(74)69(59(64)72)45-78-34-36-85(13,14)15)56-37-52(70)54(81-56)41-79-65(47-23-21-20-22-24-47,48-25-29-50(75-8)30-26-48)49-27-31-51(76-9)32-28-49/h20-32,40,52-57,70H,33-39,41-45H2,1-19H3/t52-,53-,54+,55+,56+,57+,64?/m0/s1.
What are the key properties of 5-[[1-[(2R,4S,5R)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-hydroxyoxolan-2-yl]-5-methyl-2,4-dioxo-3-(2-trimethylsilylethoxymethyl)-1,3-diazinan-5-yl]methyl]-1-[(2R,4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-yl]-3-(2-trimethylsilylethoxymethyl)pyrimidine-2,4-dione?
5-[[1-[(2R,4S,5R)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-hydroxyoxolan-2-yl]-5-methyl-2,4-dioxo-3-(2-trimethylsilylethoxymethyl)-1,3-diazinan-5-yl]methyl]-1-[(2R,4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-yl]-3-(2-trimethylsilylethoxymethyl)pyrimidine-2,4-dione has a molecular weight of 1275.89 g/mol, XLogP of 11.65, 27 rotatable bonds, 1 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[1-[(2R,4S,5R)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-hydroxyoxolan-2-yl]-5-methyl-2,4-dioxo-3-(2-trimethylsilylethoxymethyl)-1,3-diazinan-5-yl]methyl]-1-[(2R,4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-yl]-3-(2-trimethylsilylethoxymethyl)pyrimidine-2,4-dione is sourced from PubChem (CID 102195497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).