(2R,3R,4S,5R,6R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-ethylsulfanyloxane-3,4,5-triol

C24H34O5SSi — CID 10718904

IUPAC(2R,3R,4S,5R,6R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-ethylsulfanyloxane-3,4,5-triol
SMILESCCS[C@H]1O[C@H](CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)[C@H](O)[C@H](O)[C@H]1O
InChIInChI=1S/C24H34O5SSi/c1-5-30-23-22(27)21(26)20(25)19(29-23)16-28-31(24(2,3)4,17-12-8-6-9-13-17)18-14-10-7-11-15-18/h6-15,19-23,25-27H,5,16H2,1-4H3/t19-,20+,21+,22-,23-/m1/s1
InChIKeyUEUCUEWVZYTVGJ-BMXMUORJSA-N
MW462.68 g/mol
LogP2.12
Rot. Bonds7

About (2R,3R,4S,5R,6R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-ethylsulfanyloxane-3,4,5-triol

(2R,3R,4S,5R,6R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-ethylsulfanyloxane-3,4,5-triol (PubChem CID 10718904) has the molecular formula C24H34O5SSi and a molecular weight of 462.68 g/mol. Its IUPAC name is (2R,3R,4S,5R,6R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-ethylsulfanyloxane-3,4,5-triol.

Molecular Properties

Compound Name(2R,3R,4S,5R,6R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-ethylsulfanyloxane-3,4,5-triol
PubChem CID10718904
Molecular FormulaC24H34O5SSi
Molecular Weight462.68 g/mol
Exact Mass462.19
IUPAC Name(2R,3R,4S,5R,6R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-ethylsulfanyloxane-3,4,5-triol
SMILESCCS[C@H]1O[C@H](CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)[C@H](O)[C@H](O)[C@H]1O
InChIInChI=1S/C24H34O5SSi/c1-5-30-23-22(27)21(26)20(25)19(29-23)16-28-31(24(2,3)4,17-12-8-6-9-13-17)18-14-10-7-11-15-18/h6-15,19-23,25-27H,5,16H2,1-4H3/t19-,20+,21+,22-,23-/m1/s1
InChIKeyUEUCUEWVZYTVGJ-BMXMUORJSA-N
XLogP2.12
TPSA79.15 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.68
LogP ≤ 52.12
H-Bond Donors ≤ 53
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

phenyl 6-O-(tert-butyldiphenylsilyl)-1-thio-beta-D-glucopyranoside
CID 14991429
(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)-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,4R,5R,6S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-decyloxane-3,4,5-triol
CID 11731278
(2R,3S,4S,5S,6R)-2-(((tert-butyldimethylsilyl)oxy)methyl)-6-(phenylthio)tetrahydro-2H-pyran-3,4,5-triol
CID 11773595
(7R,10R,11R)-7-[tert-butyl(diphenyl)silyl]oxy-1,5-dithiaspiro[5.5]undecane-10,11-diol
CID 46180439
tert-butyl-[(2S,4S)-5-(1,3-dithian-2-yl)-2-(ethoxymethoxy)-4-methoxypentoxy]-diphenylsilane
CID 46702202
(2R,3S,4R,5S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-methyloxolane-3,4-diol
CID 46854166
TBDPS(-6)Gal2Ac(b)-SPh
CID 101272642
(2S,3R)-2-[2-[tert-butyl(diphenyl)silyl]oxyethyl]oxan-3-ol
CID 102172030
(2S,3S)-2-[2-[tert-butyl(diphenyl)silyl]oxyethyl]oxan-3-ol
CID 102172031
(2R,3S)-2-[[(2R,3R)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]oxiran-2-yl]methyl]oxan-3-ol
CID 102426988

Frequently Asked Questions

What is the IUPAC name of (2R,3R,4S,5R,6R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-ethylsulfanyloxane-3,4,5-triol?
The IUPAC name of (2R,3R,4S,5R,6R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-ethylsulfanyloxane-3,4,5-triol (CID 10718904) is (2R,3R,4S,5R,6R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-ethylsulfanyloxane-3,4,5-triol.
What is the SMILES notation for (2R,3R,4S,5R,6R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-ethylsulfanyloxane-3,4,5-triol?
The canonical SMILES for (2R,3R,4S,5R,6R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-ethylsulfanyloxane-3,4,5-triol is CCS[C@H]1O[C@H](CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)[C@H](O)[C@H](O)[C@H]1O.
What is the InChIKey of (2R,3R,4S,5R,6R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-ethylsulfanyloxane-3,4,5-triol?
The InChIKey is UEUCUEWVZYTVGJ-BMXMUORJSA-N. The full InChI is InChI=1S/C24H34O5SSi/c1-5-30-23-22(27)21(26)20(25)19(29-23)16-28-31(24(2,3)4,17-12-8-6-9-13-17)18-14-10-7-11-15-18/h6-15,19-23,25-27H,5,16H2,1-4H3/t19-,20+,21+,22-,23-/m1/s1.
What are the key properties of (2R,3R,4S,5R,6R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-ethylsulfanyloxane-3,4,5-triol?
(2R,3R,4S,5R,6R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-ethylsulfanyloxane-3,4,5-triol has a molecular weight of 462.68 g/mol, XLogP of 2.12, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4S,5R,6R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-ethylsulfanyloxane-3,4,5-triol is sourced from PubChem (CID 10718904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).