(2S,3S,4S,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-(1,3-dithian-2-yl)-2-methoxyoxolan-3-ol

C26H36O4S2Si — CID 134937485

IUPAC(2S,3S,4S,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-(1,3-dithian-2-yl)-2-methoxyoxolan-3-ol
SMILESCO[C@H]1O[C@H](CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)[C@@H](C2SCCCS2)[C@@H]1O
InChIInChI=1S/C26H36O4S2Si/c1-26(2,3)33(19-12-7-5-8-13-19,20-14-9-6-10-15-20)29-18-21-22(23(27)24(28-4)30-21)25-31-16-11-17-32-25/h5-10,12-15,21-25,27H,11,16-18H2,1-4H3/t21-,22-,23+,24+/m1/s1
InChIKeyLZANDCCUFVDVFX-LWSSLDFYSA-N
MW504.79 g/mol
LogP4.11
Rot. Bonds7

About (2S,3S,4S,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-(1,3-dithian-2-yl)-2-methoxyoxolan-3-ol

(2S,3S,4S,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-(1,3-dithian-2-yl)-2-methoxyoxolan-3-ol (PubChem CID 134937485) has the molecular formula C26H36O4S2Si and a molecular weight of 504.79 g/mol. Its IUPAC name is (2S,3S,4S,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-(1,3-dithian-2-yl)-2-methoxyoxolan-3-ol.

Molecular Properties

Compound Name(2S,3S,4S,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-(1,3-dithian-2-yl)-2-methoxyoxolan-3-ol
PubChem CID134937485
Molecular FormulaC26H36O4S2Si
Molecular Weight504.79 g/mol
Exact Mass504.18
IUPAC Name(2S,3S,4S,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-(1,3-dithian-2-yl)-2-methoxyoxolan-3-ol
SMILESCO[C@H]1O[C@H](CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)[C@@H](C2SCCCS2)[C@@H]1O
InChIInChI=1S/C26H36O4S2Si/c1-26(2,3)33(19-12-7-5-8-13-19,20-14-9-6-10-15-20)29-18-21-22(23(27)24(28-4)30-21)25-31-16-11-17-32-25/h5-10,12-15,21-25,27H,11,16-18H2,1-4H3/t21-,22-,23+,24+/m1/s1
InChIKeyLZANDCCUFVDVFX-LWSSLDFYSA-N
XLogP4.11
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500504.79
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Launch Full Analysis

Related Compounds

tert-butyl-[(2R,3S)-4-(1,3-dithian-2-yl)-3-(2-methoxyethoxymethoxy)-2-methylbutoxy]-diphenylsilane
CID 134878188
(3aS,4R,6S,7R,7aR)-4-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-ethylsulfanyl-2,2-dimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-7-ol
CID 20739026
(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
(2S)-4-[tert-butyl(diphenyl)silyl]oxy-1-[2-[[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-1,3-dithian-2-yl]butan-2-ol
CID 11071805
(2R,3R)-1-[tert-butyl(diphenyl)silyl]oxy-3-(oxan-2-yloxymethyl)hexan-2-ol
CID 11583642
(2S,3S,4R)-1-[tert-butyl(diphenyl)silyl]oxy-4-(1,3-dithiolan-2-yl)-6-(2-methoxyethoxymethoxy)-3-[2-(2-methoxyethoxymethoxy)ethyl]hexan-2-ol
CID 44235464
tert-butyl-[(2S,4S)-5-(1,3-dithian-2-yl)-2-(ethoxymethoxy)-4-methoxypentoxy]-diphenylsilane
CID 46702202
tert-butyl-[(2R,3S)-3-(2-methoxyethoxymethoxy)-2-methyl-4-(2-tributylstannyl-1,3-dithian-2-yl)butoxy]-diphenylsilane
CID 134878277
(2R)-4-[tert-butyl(diphenyl)silyl]oxy-1-[2-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-1,3-dithian-2-yl]butan-2-ol
CID 134878532
(3aR,4R,6S,7R,7aR)-4-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-ethylsulfanyl-2,2-dimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-7-ol
CID 5479074
Tert-butyl-[4-(1,3-dithian-2-yl)-3-(2-methoxyethoxymethoxy)-2-methylbutoxy]-diphenylsilane
CID 21678644
(2S,3S,4S,5R,6R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-methoxy-4-methyloxane-3,5-diol
CID 102091797

Frequently Asked Questions

What is the IUPAC name of (2S,3S,4S,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-(1,3-dithian-2-yl)-2-methoxyoxolan-3-ol?
The IUPAC name of (2S,3S,4S,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-(1,3-dithian-2-yl)-2-methoxyoxolan-3-ol (CID 134937485) is (2S,3S,4S,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-(1,3-dithian-2-yl)-2-methoxyoxolan-3-ol.
What is the SMILES notation for (2S,3S,4S,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-(1,3-dithian-2-yl)-2-methoxyoxolan-3-ol?
The canonical SMILES for (2S,3S,4S,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-(1,3-dithian-2-yl)-2-methoxyoxolan-3-ol is CO[C@H]1O[C@H](CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)[C@@H](C2SCCCS2)[C@@H]1O.
What is the InChIKey of (2S,3S,4S,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-(1,3-dithian-2-yl)-2-methoxyoxolan-3-ol?
The InChIKey is LZANDCCUFVDVFX-LWSSLDFYSA-N. The full InChI is InChI=1S/C26H36O4S2Si/c1-26(2,3)33(19-12-7-5-8-13-19,20-14-9-6-10-15-20)29-18-21-22(23(27)24(28-4)30-21)25-31-16-11-17-32-25/h5-10,12-15,21-25,27H,11,16-18H2,1-4H3/t21-,22-,23+,24+/m1/s1.
What are the key properties of (2S,3S,4S,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-(1,3-dithian-2-yl)-2-methoxyoxolan-3-ol?
(2S,3S,4S,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-(1,3-dithian-2-yl)-2-methoxyoxolan-3-ol has a molecular weight of 504.79 g/mol, XLogP of 4.11, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S,4S,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-(1,3-dithian-2-yl)-2-methoxyoxolan-3-ol is sourced from PubChem (CID 134937485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).