[(2R,3R,4S,5R)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-3-[tert-butyl(dimethyl)silyl]oxy-4-fluoro-5-(5-fluoropyrimidin-2-yl)oxolan-2-yl]methoxy-tert-butyl-dimethylsilane

C43H58F2N2O6Si2 — CID 175951331

IUPAC[(2R,3R,4S,5R)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-3-[tert-butyl(dimethyl)silyl]oxy-4-fluoro-5-(5-fluoropyrimidin-2-yl)oxolan-2-yl]methoxy-tert-butyl-dimethylsilane
SMILESCOc1ccc(C(OC[C@]2(CO[Si](C)(C)C(C)(C)C)O[C@H](c3ncc(F)cn3)[C@H](F)[C@@H]2O[Si](C)(C)C(C)(C)C)(c2ccccc2)c2ccc(OC)cc2)cc1
InChIInChI=1S/C43H58F2N2O6Si2/c1-40(2,3)54(9,10)51-29-42(38(53-55(11,12)41(4,5)6)36(45)37(52-42)39-46-26-33(44)27-47-39)28-50-43(30-16-14-13-15-17-30,31-18-22-34(48-7)23-19-31)32-20-24-35(49-8)25-21-32/h13-27,36-38H,28-29H2,1-12H3/t36-,37-,38-,42+/m0/s1
InChIKeyHAVOUPOLGYXXJY-JNIKQVGDSA-N
MW793.11 g/mol
LogP10.20
Rot. Bonds14

About [(2R,3R,4S,5R)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-3-[tert-butyl(dimethyl)silyl]oxy-4-fluoro-5-(5-fluoropyrimidin-2-yl)oxolan-2-yl]methoxy-tert-butyl-dimethylsilane

[(2R,3R,4S,5R)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-3-[tert-butyl(dimethyl)silyl]oxy-4-fluoro-5-(5-fluoropyrimidin-2-yl)oxolan-2-yl]methoxy-tert-butyl-dimethylsilane (PubChem CID 175951331) has the molecular formula C43H58F2N2O6Si2 and a molecular weight of 793.11 g/mol. Its IUPAC name is [(2R,3R,4S,5R)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-3-[tert-butyl(dimethyl)silyl]oxy-4-fluoro-5-(5-fluoropyrimidin-2-yl)oxolan-2-yl]methoxy-tert-butyl-dimethylsilane.

Molecular Properties

Compound Name[(2R,3R,4S,5R)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-3-[tert-butyl(dimethyl)silyl]oxy-4-fluoro-5-(5-fluoropyrimidin-2-yl)oxolan-2-yl]methoxy-tert-butyl-dimethylsilane
PubChem CID175951331
Molecular FormulaC43H58F2N2O6Si2
Molecular Weight793.11 g/mol
Exact Mass792.38
IUPAC Name[(2R,3R,4S,5R)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-3-[tert-butyl(dimethyl)silyl]oxy-4-fluoro-5-(5-fluoropyrimidin-2-yl)oxolan-2-yl]methoxy-tert-butyl-dimethylsilane
SMILESCOc1ccc(C(OC[C@]2(CO[Si](C)(C)C(C)(C)C)O[C@H](c3ncc(F)cn3)[C@H](F)[C@@H]2O[Si](C)(C)C(C)(C)C)(c2ccccc2)c2ccc(OC)cc2)cc1
InChIInChI=1S/C43H58F2N2O6Si2/c1-40(2,3)54(9,10)51-29-42(38(53-55(11,12)41(4,5)6)36(45)37(52-42)39-46-26-33(44)27-47-39)28-50-43(30-16-14-13-15-17-30,31-18-22-34(48-7)23-19-31)32-20-24-35(49-8)25-21-32/h13-27,36-38H,28-29H2,1-12H3/t36-,37-,38-,42+/m0/s1
InChIKeyHAVOUPOLGYXXJY-JNIKQVGDSA-N
XLogP10.20
TPSA81.16 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds14
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500793.11
LogP ≤ 510.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze [(2R,3R,4S,5R)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-3-[tert-butyl(dimethyl)silyl]oxy-4-fluoro-5-(5-fluoropyrimidin-2-yl)oxolan-2-yl]methoxy-tert-butyl-dimethylsilane 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,3S,4R,5S)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-[tert-butyl(dimethyl)silyl]oxy-3-fluoro-5-(hydroxymethyl)oxolan-2-yl]-5-fluoropyrimidine-2,4-dione
CID 169068671
1-[(2R,3S,4R,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-fluoro-4-[(4-methoxyphenyl)-diphenylmethoxy]-5-[[(4-methoxyphenyl)-diphenylmethoxy]methyl]oxolan-2-yl]-5-fluoropyrimidine-2,4-dione
CID 169068389
1-[(5S)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-[tert-butyl(dimethyl)silyl]oxy-3-fluoro-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
CID 146157216
CID 146029384
CID 146029384
(2R,3R,4S,5S)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-ethylsulfanyl-4-phenylmethoxyoxolan-3-ol
CID 11308630
4-amino-1-[(2R,3S,4R,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-fluoro-5-[(Z)-2-fluoroethenyl]-4-[(4-methoxyphenyl)-diphenylmethoxy]oxolan-2-yl]-5-fluoropyrimidin-2-one
CID 169068303
(3R,4R,5R)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-3-[tert-butyl(dimethyl)silyl]oxyoxolane-2,4-diol
CID 69329004
1-[(2R,3R,4R,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-ethenyl-3-fluoro-4-[(4-methoxyphenyl)-diphenylmethoxy]oxolan-2-yl]pyrimidine-2,4-dione
CID 175677882
1-[(2R,3R,4S,5R)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-(2-iodoethoxy)oxolan-2-yl]-5-methylpyrimidine-2,4-dione
CID 132941548
(2S)-1-[bis(4-methoxyphenyl)-phenylmethoxy]-3-[tert-butyl(diphenyl)silyl]oxypropan-2-ol
CID 142497064
1-[(2R,4R,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,3-difluoro-5-(iodomethyl)-4-[(4-methoxyphenyl)-diphenylmethoxy]oxolan-2-yl]pyrimidine-2,4-dione
CID 169212957
[(3S)-4-[bis(4-methoxyphenyl)-phenylmethoxy]-3-methoxybutoxy]-tert-butyl-diphenylsilane
CID 101226506

Frequently Asked Questions

What is the IUPAC name of [(2R,3R,4S,5R)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-3-[tert-butyl(dimethyl)silyl]oxy-4-fluoro-5-(5-fluoropyrimidin-2-yl)oxolan-2-yl]methoxy-tert-butyl-dimethylsilane?
The IUPAC name of [(2R,3R,4S,5R)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-3-[tert-butyl(dimethyl)silyl]oxy-4-fluoro-5-(5-fluoropyrimidin-2-yl)oxolan-2-yl]methoxy-tert-butyl-dimethylsilane (CID 175951331) is [(2R,3R,4S,5R)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-3-[tert-butyl(dimethyl)silyl]oxy-4-fluoro-5-(5-fluoropyrimidin-2-yl)oxolan-2-yl]methoxy-tert-butyl-dimethylsilane.
What is the SMILES notation for [(2R,3R,4S,5R)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-3-[tert-butyl(dimethyl)silyl]oxy-4-fluoro-5-(5-fluoropyrimidin-2-yl)oxolan-2-yl]methoxy-tert-butyl-dimethylsilane?
The canonical SMILES for [(2R,3R,4S,5R)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-3-[tert-butyl(dimethyl)silyl]oxy-4-fluoro-5-(5-fluoropyrimidin-2-yl)oxolan-2-yl]methoxy-tert-butyl-dimethylsilane is COc1ccc(C(OC[C@]2(CO[Si](C)(C)C(C)(C)C)O[C@H](c3ncc(F)cn3)[C@H](F)[C@@H]2O[Si](C)(C)C(C)(C)C)(c2ccccc2)c2ccc(OC)cc2)cc1.
What is the InChIKey of [(2R,3R,4S,5R)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-3-[tert-butyl(dimethyl)silyl]oxy-4-fluoro-5-(5-fluoropyrimidin-2-yl)oxolan-2-yl]methoxy-tert-butyl-dimethylsilane?
The InChIKey is HAVOUPOLGYXXJY-JNIKQVGDSA-N. The full InChI is InChI=1S/C43H58F2N2O6Si2/c1-40(2,3)54(9,10)51-29-42(38(53-55(11,12)41(4,5)6)36(45)37(52-42)39-46-26-33(44)27-47-39)28-50-43(30-16-14-13-15-17-30,31-18-22-34(48-7)23-19-31)32-20-24-35(49-8)25-21-32/h13-27,36-38H,28-29H2,1-12H3/t36-,37-,38-,42+/m0/s1.
What are the key properties of [(2R,3R,4S,5R)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-3-[tert-butyl(dimethyl)silyl]oxy-4-fluoro-5-(5-fluoropyrimidin-2-yl)oxolan-2-yl]methoxy-tert-butyl-dimethylsilane?
[(2R,3R,4S,5R)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-3-[tert-butyl(dimethyl)silyl]oxy-4-fluoro-5-(5-fluoropyrimidin-2-yl)oxolan-2-yl]methoxy-tert-butyl-dimethylsilane has a molecular weight of 793.11 g/mol, XLogP of 10.20, 14 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3R,4S,5R)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-3-[tert-butyl(dimethyl)silyl]oxy-4-fluoro-5-(5-fluoropyrimidin-2-yl)oxolan-2-yl]methoxy-tert-butyl-dimethylsilane is sourced from PubChem (CID 175951331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).