[(4R,5S,6R)-6-[(1S)-1-[2-[(2R,3S,4R)-2,4-bis[[tert-butyl(dimethyl)silyl]oxy]-3,5-dimethylhexyl]-1,3-dithian-2-yl]ethyl]-2,2,5-trimethyl-1,3-dioxan-4-yl]methoxy-tert-butyl-diphenylsilane

C50H88O5S2Si3 — CID 11297546

IUPAC[(4R,5S,6R)-6-[(1S)-1-[2-[(2R,3S,4R)-2,4-bis[[tert-butyl(dimethyl)silyl]oxy]-3,5-dimethylhexyl]-1,3-dithian-2-yl]ethyl]-2,2,5-trimethyl-1,3-dioxan-4-yl]methoxy-tert-butyl-diphenylsilane
SMILESCC(C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](C)[C@@H](CC1([C@@H](C)[C@@H]2OC(C)(C)O[C@@H](CO[Si](c3ccccc3)(c3ccccc3)C(C)(C)C)[C@H]2C)SCCCS1)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C50H88O5S2Si3/c1-36(2)44(55-59(19,20)47(9,10)11)37(3)42(54-58(17,18)46(6,7)8)34-50(56-32-27-33-57-50)39(5)45-38(4)43(52-49(15,16)53-45)35-51-60(48(12,13)14,40-28-23-21-24-29-40)41-30-25-22-26-31-41/h21-26,28-31,36-39,42-45H,27,32-35H2,1-20H3/t37-,38+,39-,42+,43-,44+,45+/m0/s1
InChIKeyQILZNMRODRJORZ-YUNGNJCOSA-N
MW917.64 g/mol
LogP13.38
Rot. Bonds16

About [(4R,5S,6R)-6-[(1S)-1-[2-[(2R,3S,4R)-2,4-bis[[tert-butyl(dimethyl)silyl]oxy]-3,5-dimethylhexyl]-1,3-dithian-2-yl]ethyl]-2,2,5-trimethyl-1,3-dioxan-4-yl]methoxy-tert-butyl-diphenylsilane

[(4R,5S,6R)-6-[(1S)-1-[2-[(2R,3S,4R)-2,4-bis[[tert-butyl(dimethyl)silyl]oxy]-3,5-dimethylhexyl]-1,3-dithian-2-yl]ethyl]-2,2,5-trimethyl-1,3-dioxan-4-yl]methoxy-tert-butyl-diphenylsilane (PubChem CID 11297546) has the molecular formula C50H88O5S2Si3 and a molecular weight of 917.64 g/mol. Its IUPAC name is [(4R,5S,6R)-6-[(1S)-1-[2-[(2R,3S,4R)-2,4-bis[[tert-butyl(dimethyl)silyl]oxy]-3,5-dimethylhexyl]-1,3-dithian-2-yl]ethyl]-2,2,5-trimethyl-1,3-dioxan-4-yl]methoxy-tert-butyl-diphenylsilane.

Molecular Properties

Compound Name[(4R,5S,6R)-6-[(1S)-1-[2-[(2R,3S,4R)-2,4-bis[[tert-butyl(dimethyl)silyl]oxy]-3,5-dimethylhexyl]-1,3-dithian-2-yl]ethyl]-2,2,5-trimethyl-1,3-dioxan-4-yl]methoxy-tert-butyl-diphenylsilane
PubChem CID11297546
Molecular FormulaC50H88O5S2Si3
Molecular Weight917.64 g/mol
Exact Mass916.54
IUPAC Name[(4R,5S,6R)-6-[(1S)-1-[2-[(2R,3S,4R)-2,4-bis[[tert-butyl(dimethyl)silyl]oxy]-3,5-dimethylhexyl]-1,3-dithian-2-yl]ethyl]-2,2,5-trimethyl-1,3-dioxan-4-yl]methoxy-tert-butyl-diphenylsilane
SMILESCC(C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](C)[C@@H](CC1([C@@H](C)[C@@H]2OC(C)(C)O[C@@H](CO[Si](c3ccccc3)(c3ccccc3)C(C)(C)C)[C@H]2C)SCCCS1)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C50H88O5S2Si3/c1-36(2)44(55-59(19,20)47(9,10)11)37(3)42(54-58(17,18)46(6,7)8)34-50(56-32-27-33-57-50)39(5)45-38(4)43(52-49(15,16)53-45)35-51-60(48(12,13)14,40-28-23-21-24-29-40)41-30-25-22-26-31-41/h21-26,28-31,36-39,42-45H,27,32-35H2,1-20H3/t37-,38+,39-,42+,43-,44+,45+/m0/s1
InChIKeyQILZNMRODRJORZ-YUNGNJCOSA-N
XLogP13.38
TPSA46.15 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds16
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500917.64
LogP ≤ 513.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze [(4R,5S,6R)-6-[(1S)-1-[2-[(2R,3S,4R)-2,4-bis[[tert-butyl(dimethyl)silyl]oxy]-3,5-dimethylhexyl]-1,3-dithian-2-yl]ethyl]-2,2,5-trimethyl-1,3-dioxan-4-yl]methoxy-tert-butyl-diphenylsilane 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

tert-butyl-[2-[(4R,6S)-6-[2-(1,3-dithian-2-yl)propan-2-yl]-2,2-dimethyl-1,3-dioxan-4-yl]ethoxy]-diphenylsilane
CID 11974078
(2S,4S)-1-[2-[(2S)-2-[tert-butyl(dimethyl)silyl]oxy-3-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-methylpropyl]-1,3-dithian-2-yl]-6-[tert-butyl(diphenyl)silyl]oxy-4-triethylsilyloxyhexan-2-ol
CID 10975003
CID 11331313
CID 11331313
CID 11490834
CID 11490834
tert-butyl-[2-[(4R,6S)-6-[(2S)-2-[tert-butyl(dimethyl)silyl]oxy-3-(1,3-dithian-2-yl)-3-methylbutyl]-2,2-dimethyl-1,3-dioxan-4-yl]ethoxy]-diphenylsilane
CID 134878049
tert-butyl-[2-[(4S,6S)-6-[(2S)-3-(1,3-dithian-2-yl)-2-(methoxymethoxy)-3-methylbutyl]-2,2-dimethyl-1,3-dioxan-4-yl]ethoxy]-diphenylsilane
CID 134881831
tert-butyl-[2-[(2S,3S,6R)-3-methyl-6-[[2-[(E)-prop-1-enyl]-1,3-dithian-2-yl]methyl]oxan-2-yl]ethoxy]-diphenylsilane
CID 134936241
tert-butyl-[(2Z)-2-[(2S,6R)-2-[[2-[(3S)-3-[tert-butyl(diphenyl)silyl]oxy-4-[(4S,6R)-6-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-2,2-dimethyl-1,3-dioxan-4-yl]-2-methylbutan-2-yl]-1,3-dithian-2-yl]methyl]-6-[tri(propan-2-yl)silyloxymethyl]oxan-4-ylidene]ethoxy]-diphenylsilane
CID 134936367
tert-butyl-[(1R)-1-[(4R,5R,6S)-6-[(S)-1,3-dithian-2-yl(phenylmethoxy)methyl]-2,2-dimethyl-5-phenylmethoxy-1,3-dioxan-4-yl]-2,2-dimethoxyethoxy]-dimethylsilane
CID 135021154
(2S,3R)-4-[tert-butyl(dimethyl)silyl]oxy-3-[(4S,6R)-2,2-diethyl-6-(hydroxymethyl)-1,3-dioxan-4-yl]-1-[2-(2-phenylethyl)-1,3-dithian-2-yl]butan-2-ol
CID 72713815
[(1R,3S,4'S,5R,6S,7S,8R,10S,11S,12S,13R,15S,17R,19R,21S,22S,24S)-4',6,7,11,12,17,21-heptamethyl-21-[(2R)-4-phenylsulfanylbutan-2-yl]spiro[4,9,14,20,25-pentaoxapentacyclo[13.10.0.03,13.05,10.019,24]pentacosane-8,2'-oxolane]-22-yl]oxy-tri(propan-2-yl)silane
CID 59378793
[(1R,3S,4'S,5R,6S,7S,8R,10S,11S,12S,13R,15S,17R,19R,21S,22R,24S)-4',6,7,11,12,17,21-heptamethyl-21-(4-phenylsulfanylbutan-2-yl)spiro[4,9,14,20,25-pentaoxapentacyclo[13.10.0.03,13.05,10.019,24]pentacosane-8,2'-oxolane]-22-yl]oxy-tri(propan-2-yl)silane
CID 59378800

Frequently Asked Questions

What is the IUPAC name of [(4R,5S,6R)-6-[(1S)-1-[2-[(2R,3S,4R)-2,4-bis[[tert-butyl(dimethyl)silyl]oxy]-3,5-dimethylhexyl]-1,3-dithian-2-yl]ethyl]-2,2,5-trimethyl-1,3-dioxan-4-yl]methoxy-tert-butyl-diphenylsilane?
The IUPAC name of [(4R,5S,6R)-6-[(1S)-1-[2-[(2R,3S,4R)-2,4-bis[[tert-butyl(dimethyl)silyl]oxy]-3,5-dimethylhexyl]-1,3-dithian-2-yl]ethyl]-2,2,5-trimethyl-1,3-dioxan-4-yl]methoxy-tert-butyl-diphenylsilane (CID 11297546) is [(4R,5S,6R)-6-[(1S)-1-[2-[(2R,3S,4R)-2,4-bis[[tert-butyl(dimethyl)silyl]oxy]-3,5-dimethylhexyl]-1,3-dithian-2-yl]ethyl]-2,2,5-trimethyl-1,3-dioxan-4-yl]methoxy-tert-butyl-diphenylsilane.
What is the SMILES notation for [(4R,5S,6R)-6-[(1S)-1-[2-[(2R,3S,4R)-2,4-bis[[tert-butyl(dimethyl)silyl]oxy]-3,5-dimethylhexyl]-1,3-dithian-2-yl]ethyl]-2,2,5-trimethyl-1,3-dioxan-4-yl]methoxy-tert-butyl-diphenylsilane?
The canonical SMILES for [(4R,5S,6R)-6-[(1S)-1-[2-[(2R,3S,4R)-2,4-bis[[tert-butyl(dimethyl)silyl]oxy]-3,5-dimethylhexyl]-1,3-dithian-2-yl]ethyl]-2,2,5-trimethyl-1,3-dioxan-4-yl]methoxy-tert-butyl-diphenylsilane is CC(C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](C)[C@@H](CC1([C@@H](C)[C@@H]2OC(C)(C)O[C@@H](CO[Si](c3ccccc3)(c3ccccc3)C(C)(C)C)[C@H]2C)SCCCS1)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of [(4R,5S,6R)-6-[(1S)-1-[2-[(2R,3S,4R)-2,4-bis[[tert-butyl(dimethyl)silyl]oxy]-3,5-dimethylhexyl]-1,3-dithian-2-yl]ethyl]-2,2,5-trimethyl-1,3-dioxan-4-yl]methoxy-tert-butyl-diphenylsilane?
The InChIKey is QILZNMRODRJORZ-YUNGNJCOSA-N. The full InChI is InChI=1S/C50H88O5S2Si3/c1-36(2)44(55-59(19,20)47(9,10)11)37(3)42(54-58(17,18)46(6,7)8)34-50(56-32-27-33-57-50)39(5)45-38(4)43(52-49(15,16)53-45)35-51-60(48(12,13)14,40-28-23-21-24-29-40)41-30-25-22-26-31-41/h21-26,28-31,36-39,42-45H,27,32-35H2,1-20H3/t37-,38+,39-,42+,43-,44+,45+/m0/s1.
What are the key properties of [(4R,5S,6R)-6-[(1S)-1-[2-[(2R,3S,4R)-2,4-bis[[tert-butyl(dimethyl)silyl]oxy]-3,5-dimethylhexyl]-1,3-dithian-2-yl]ethyl]-2,2,5-trimethyl-1,3-dioxan-4-yl]methoxy-tert-butyl-diphenylsilane?
[(4R,5S,6R)-6-[(1S)-1-[2-[(2R,3S,4R)-2,4-bis[[tert-butyl(dimethyl)silyl]oxy]-3,5-dimethylhexyl]-1,3-dithian-2-yl]ethyl]-2,2,5-trimethyl-1,3-dioxan-4-yl]methoxy-tert-butyl-diphenylsilane has a molecular weight of 917.64 g/mol, XLogP of 13.38, 16 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(4R,5S,6R)-6-[(1S)-1-[2-[(2R,3S,4R)-2,4-bis[[tert-butyl(dimethyl)silyl]oxy]-3,5-dimethylhexyl]-1,3-dithian-2-yl]ethyl]-2,2,5-trimethyl-1,3-dioxan-4-yl]methoxy-tert-butyl-diphenylsilane is sourced from PubChem (CID 11297546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).