(2S,4S)-1-[2-[(2S)-2-[tert-butyl(dimethyl)silyl]oxy-2-methyl-3-[(4S)-2-phenyl-1,3-dioxan-4-yl]propyl]-1,3-dithian-2-yl]-4-phenylmethoxy-6-trityloxyhexan-2-ol

C56H72O6S2Si — CID 11366557

IUPAC(2S,4S)-1-[2-[(2S)-2-[tert-butyl(dimethyl)silyl]oxy-2-methyl-3-[(4S)-2-phenyl-1,3-dioxan-4-yl]propyl]-1,3-dithian-2-yl]-4-phenylmethoxy-6-trityloxyhexan-2-ol
SMILESCC(C)(C)[Si](C)(C)O[C@@](C)(C[C@@H]1CCOC(c2ccccc2)O1)CC1(C[C@@H](O)C[C@H](CCOC(c2ccccc2)(c2ccccc2)c2ccccc2)OCc2ccccc2)SCCCS1
InChIInChI=1S/C56H72O6S2Si/c1-53(2,3)65(5,6)62-54(4,41-51-33-35-58-52(61-51)45-25-14-8-15-26-45)43-55(63-37-22-38-64-55)40-49(57)39-50(59-42-44-23-12-7-13-24-44)34-36-60-56(46-27-16-9-17-28-46,47-29-18-10-19-30-47)48-31-20-11-21-32-48/h7-21,23-32,49-52,57H,22,33-43H2,1-6H3/t49-,50-,51-,52?,54-/m0/s1
InChIKeyDWHBACXOWMKTSE-WCMOTMKZSA-N
MW933.41 g/mol
LogP13.74
Rot. Bonds21

About (2S,4S)-1-[2-[(2S)-2-[tert-butyl(dimethyl)silyl]oxy-2-methyl-3-[(4S)-2-phenyl-1,3-dioxan-4-yl]propyl]-1,3-dithian-2-yl]-4-phenylmethoxy-6-trityloxyhexan-2-ol

(2S,4S)-1-[2-[(2S)-2-[tert-butyl(dimethyl)silyl]oxy-2-methyl-3-[(4S)-2-phenyl-1,3-dioxan-4-yl]propyl]-1,3-dithian-2-yl]-4-phenylmethoxy-6-trityloxyhexan-2-ol (PubChem CID 11366557) has the molecular formula C56H72O6S2Si and a molecular weight of 933.41 g/mol. Its IUPAC name is (2S,4S)-1-[2-[(2S)-2-[tert-butyl(dimethyl)silyl]oxy-2-methyl-3-[(4S)-2-phenyl-1,3-dioxan-4-yl]propyl]-1,3-dithian-2-yl]-4-phenylmethoxy-6-trityloxyhexan-2-ol.

Molecular Properties

Compound Name(2S,4S)-1-[2-[(2S)-2-[tert-butyl(dimethyl)silyl]oxy-2-methyl-3-[(4S)-2-phenyl-1,3-dioxan-4-yl]propyl]-1,3-dithian-2-yl]-4-phenylmethoxy-6-trityloxyhexan-2-ol
PubChem CID11366557
Molecular FormulaC56H72O6S2Si
Molecular Weight933.41 g/mol
Exact Mass932.45
IUPAC Name(2S,4S)-1-[2-[(2S)-2-[tert-butyl(dimethyl)silyl]oxy-2-methyl-3-[(4S)-2-phenyl-1,3-dioxan-4-yl]propyl]-1,3-dithian-2-yl]-4-phenylmethoxy-6-trityloxyhexan-2-ol
SMILESCC(C)(C)[Si](C)(C)O[C@@](C)(C[C@@H]1CCOC(c2ccccc2)O1)CC1(C[C@@H](O)C[C@H](CCOC(c2ccccc2)(c2ccccc2)c2ccccc2)OCc2ccccc2)SCCCS1
InChIInChI=1S/C56H72O6S2Si/c1-53(2,3)65(5,6)62-54(4,41-51-33-35-58-52(61-51)45-25-14-8-15-26-45)43-55(63-37-22-38-64-55)40-49(57)39-50(59-42-44-23-12-7-13-24-44)34-36-60-56(46-27-16-9-17-28-46,47-29-18-10-19-30-47)48-31-20-11-21-32-48/h7-21,23-32,49-52,57H,22,33-43H2,1-6H3/t49-,50-,51-,52?,54-/m0/s1
InChIKeyDWHBACXOWMKTSE-WCMOTMKZSA-N
XLogP13.74
TPSA66.38 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds21
Heavy Atoms65
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500933.41
LogP ≤ 513.74
H-Bond Donors ≤ 51
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 (2S,4S)-1-[2-[(2S)-2-[tert-butyl(dimethyl)silyl]oxy-2-methyl-3-[(4S)-2-phenyl-1,3-dioxan-4-yl]propyl]-1,3-dithian-2-yl]-4-phenylmethoxy-6-trityloxyhexan-2-ol 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-[(2S)-1-(1,3-dithian-2-yl)-2-methyl-3-[(4S)-2-phenyl-1,3-dioxan-4-yl]propan-2-yl]oxy-dimethylsilane
CID 10917661
(2R,3R)-3-[2-[(2S)-1-[tert-butyl(diphenyl)silyl]oxypropan-2-yl]-1,3-dithian-2-yl]-1-trityloxybutan-2-ol
CID 11104622
3-[2-[(2S)-1-[tert-butyl(diphenyl)silyl]oxypropan-2-yl]-1,3-dithian-2-yl]-1-trityloxybutan-2-ol
CID 11735299
(2S,4S)-4-[tert-butyl(diphenyl)silyl]oxy-1-(1,3-dithian-2-yl)-6-phenylmethoxyhexan-2-ol
CID 11813902
(2R,3S)-3-[2-[(2S)-1-[tert-butyl(diphenyl)silyl]oxypropan-2-yl]-1,3-dithian-2-yl]-1-trityloxybutan-2-ol
CID 15415897
(2S,3S)-3-[2-[(2S)-1-[tert-butyl(diphenyl)silyl]oxypropan-2-yl]-1,3-dithian-2-yl]-4-trityloxybutan-2-ol
CID 15415898
(1S,5E)-1-[(S)-[6-[bis(phenylmethoxy)methyl]cyclohexa-1,5-dien-1-yl]-hydroxymethyl]-4,6,6-trimethyl-5-(phenylsulfanylmethylidene)-3-tri(propan-2-yl)silyloxycyclohex-3-en-1-ol
CID 15521065
tert-butyl-[3-[(1R,3S,5S,6S,8S,10S,11R,13R,14S)-8-ethylsulfanyl-10-(methoxymethoxy)-5,13-dimethyl-14-phenylmethoxy-13-(phenylmethoxymethyl)-2,7,12-trioxatricyclo[9.4.0.03,8]pentadecan-6-yl]propoxy]-diphenylsilane
CID 44195618
t-Butyldimethylsilyl 4-O-benzyl-2-O-{(1S)-phenyl-2-phenylsulfanyl-ethyl}-beta-D-glucopyranoside
CID 45273843
t-Butyldimethylsilyl 4,6-O-benzylidene-2-O-[(S)-2-(phenylthiomethyl)benzyl]-beta-D-glucopyranose
CID 45273858
1-[(2S,5S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]-2-[(2R,5R,6S)-2-methoxy-3,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-4-yl]ethanol
CID 134832053
1-[(2R,5S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]-2-[(2R,5R,6S)-2-methoxy-3,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-4-yl]ethanol
CID 134856874

Frequently Asked Questions

What is the IUPAC name of (2S,4S)-1-[2-[(2S)-2-[tert-butyl(dimethyl)silyl]oxy-2-methyl-3-[(4S)-2-phenyl-1,3-dioxan-4-yl]propyl]-1,3-dithian-2-yl]-4-phenylmethoxy-6-trityloxyhexan-2-ol?
The IUPAC name of (2S,4S)-1-[2-[(2S)-2-[tert-butyl(dimethyl)silyl]oxy-2-methyl-3-[(4S)-2-phenyl-1,3-dioxan-4-yl]propyl]-1,3-dithian-2-yl]-4-phenylmethoxy-6-trityloxyhexan-2-ol (CID 11366557) is (2S,4S)-1-[2-[(2S)-2-[tert-butyl(dimethyl)silyl]oxy-2-methyl-3-[(4S)-2-phenyl-1,3-dioxan-4-yl]propyl]-1,3-dithian-2-yl]-4-phenylmethoxy-6-trityloxyhexan-2-ol.
What is the SMILES notation for (2S,4S)-1-[2-[(2S)-2-[tert-butyl(dimethyl)silyl]oxy-2-methyl-3-[(4S)-2-phenyl-1,3-dioxan-4-yl]propyl]-1,3-dithian-2-yl]-4-phenylmethoxy-6-trityloxyhexan-2-ol?
The canonical SMILES for (2S,4S)-1-[2-[(2S)-2-[tert-butyl(dimethyl)silyl]oxy-2-methyl-3-[(4S)-2-phenyl-1,3-dioxan-4-yl]propyl]-1,3-dithian-2-yl]-4-phenylmethoxy-6-trityloxyhexan-2-ol is CC(C)(C)[Si](C)(C)O[C@@](C)(C[C@@H]1CCOC(c2ccccc2)O1)CC1(C[C@@H](O)C[C@H](CCOC(c2ccccc2)(c2ccccc2)c2ccccc2)OCc2ccccc2)SCCCS1.
What is the InChIKey of (2S,4S)-1-[2-[(2S)-2-[tert-butyl(dimethyl)silyl]oxy-2-methyl-3-[(4S)-2-phenyl-1,3-dioxan-4-yl]propyl]-1,3-dithian-2-yl]-4-phenylmethoxy-6-trityloxyhexan-2-ol?
The InChIKey is DWHBACXOWMKTSE-WCMOTMKZSA-N. The full InChI is InChI=1S/C56H72O6S2Si/c1-53(2,3)65(5,6)62-54(4,41-51-33-35-58-52(61-51)45-25-14-8-15-26-45)43-55(63-37-22-38-64-55)40-49(57)39-50(59-42-44-23-12-7-13-24-44)34-36-60-56(46-27-16-9-17-28-46,47-29-18-10-19-30-47)48-31-20-11-21-32-48/h7-21,23-32,49-52,57H,22,33-43H2,1-6H3/t49-,50-,51-,52?,54-/m0/s1.
What are the key properties of (2S,4S)-1-[2-[(2S)-2-[tert-butyl(dimethyl)silyl]oxy-2-methyl-3-[(4S)-2-phenyl-1,3-dioxan-4-yl]propyl]-1,3-dithian-2-yl]-4-phenylmethoxy-6-trityloxyhexan-2-ol?
(2S,4S)-1-[2-[(2S)-2-[tert-butyl(dimethyl)silyl]oxy-2-methyl-3-[(4S)-2-phenyl-1,3-dioxan-4-yl]propyl]-1,3-dithian-2-yl]-4-phenylmethoxy-6-trityloxyhexan-2-ol has a molecular weight of 933.41 g/mol, XLogP of 13.74, 21 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S)-1-[2-[(2S)-2-[tert-butyl(dimethyl)silyl]oxy-2-methyl-3-[(4S)-2-phenyl-1,3-dioxan-4-yl]propyl]-1,3-dithian-2-yl]-4-phenylmethoxy-6-trityloxyhexan-2-ol is sourced from PubChem (CID 11366557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).