(2S,3R,4R)-5-[tert-butyl(diphenyl)silyl]oxy-1,1-bis(ethylsulfanyl)pentane-2,3,4-triol

C25H38O4S2Si — CID 11271885

IUPAC(2S,3R,4R)-5-[tert-butyl(diphenyl)silyl]oxy-1,1-bis(ethylsulfanyl)pentane-2,3,4-triol
SMILESCCSC(SCC)[C@@H](O)[C@H](O)[C@H](O)CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C25H38O4S2Si/c1-6-30-24(31-7-2)23(28)22(27)21(26)18-29-32(25(3,4)5,19-14-10-8-11-15-19)20-16-12-9-13-17-20/h8-17,21-24,26-28H,6-7,18H2,1-5H3/t21-,22-,23+/m1/s1
InChIKeyLUIIAQQZFPGPPP-ZLNRFVROSA-N
MW494.80 g/mol
LogP3.48
Rot. Bonds12

About (2S,3R,4R)-5-[tert-butyl(diphenyl)silyl]oxy-1,1-bis(ethylsulfanyl)pentane-2,3,4-triol

(2S,3R,4R)-5-[tert-butyl(diphenyl)silyl]oxy-1,1-bis(ethylsulfanyl)pentane-2,3,4-triol (PubChem CID 11271885) has the molecular formula C25H38O4S2Si and a molecular weight of 494.80 g/mol. Its IUPAC name is (2S,3R,4R)-5-[tert-butyl(diphenyl)silyl]oxy-1,1-bis(ethylsulfanyl)pentane-2,3,4-triol.

Molecular Properties

Compound Name(2S,3R,4R)-5-[tert-butyl(diphenyl)silyl]oxy-1,1-bis(ethylsulfanyl)pentane-2,3,4-triol
PubChem CID11271885
Molecular FormulaC25H38O4S2Si
Molecular Weight494.80 g/mol
Exact Mass494.20
IUPAC Name(2S,3R,4R)-5-[tert-butyl(diphenyl)silyl]oxy-1,1-bis(ethylsulfanyl)pentane-2,3,4-triol
SMILESCCSC(SCC)[C@@H](O)[C@H](O)[C@H](O)CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C25H38O4S2Si/c1-6-30-24(31-7-2)23(28)22(27)21(26)18-29-32(25(3,4)5,19-14-10-8-11-15-19)20-16-12-9-13-17-20/h8-17,21-24,26-28H,6-7,18H2,1-5H3/t21-,22-,23+/m1/s1
InChIKeyLUIIAQQZFPGPPP-ZLNRFVROSA-N
XLogP3.48
TPSA69.92 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.80
LogP ≤ 53.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

D-Ribose, diphenyl dithioacetal
CID 21139961
(7R,10R,11R)-7-[tert-butyl(diphenyl)silyl]oxy-1,5-dithiaspiro[5.5]undecane-10,11-diol
CID 46180439
(3R,4R)-1-[tert-butyl(diphenyl)silyl]oxyhexane-3,4-diol
CID 101380523
(2s,3r,4r,5s)-1,1-Bis(phenylthio)hexane-2,3,4,5-tetraol
CID 129852586
tert-butyl-[(2R,5S)-5-butylsulfanylhexan-2-yl]oxy-diphenylsilane
CID 134846418
4-[Tert-butyl(diphenyl)silyl]oxy-1-(1,3-dithiolan-2-yl)tetradecan-3-ol
CID 134906130
(2S,3S)-1-[tert-butyl(diphenyl)silyl]oxy-3-(1,3-dithian-2-yl)butan-2-ol
CID 134936237
(2S,3R)-1-[tert-butyl(diphenyl)silyl]oxy-3-(1,3-dithian-2-yl)pent-4-en-2-ol
CID 134936259
(3S,4R,6S)-3-[tert-butyl(diphenyl)silyl]oxy-6-(1,3-dithian-2-yl)heptane-1,4-diol
CID 139116864
(3R,4R,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-fluorothiolan-3-ol
CID 10572506
(2R,3S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-4,4-difluorothiolan-3-ol
CID 10692836
(3S,4R,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-fluorothiolan-3-ol
CID 10763004

Frequently Asked Questions

What is the IUPAC name of (2S,3R,4R)-5-[tert-butyl(diphenyl)silyl]oxy-1,1-bis(ethylsulfanyl)pentane-2,3,4-triol?
The IUPAC name of (2S,3R,4R)-5-[tert-butyl(diphenyl)silyl]oxy-1,1-bis(ethylsulfanyl)pentane-2,3,4-triol (CID 11271885) is (2S,3R,4R)-5-[tert-butyl(diphenyl)silyl]oxy-1,1-bis(ethylsulfanyl)pentane-2,3,4-triol.
What is the SMILES notation for (2S,3R,4R)-5-[tert-butyl(diphenyl)silyl]oxy-1,1-bis(ethylsulfanyl)pentane-2,3,4-triol?
The canonical SMILES for (2S,3R,4R)-5-[tert-butyl(diphenyl)silyl]oxy-1,1-bis(ethylsulfanyl)pentane-2,3,4-triol is CCSC(SCC)[C@@H](O)[C@H](O)[C@H](O)CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.
What is the InChIKey of (2S,3R,4R)-5-[tert-butyl(diphenyl)silyl]oxy-1,1-bis(ethylsulfanyl)pentane-2,3,4-triol?
The InChIKey is LUIIAQQZFPGPPP-ZLNRFVROSA-N. The full InChI is InChI=1S/C25H38O4S2Si/c1-6-30-24(31-7-2)23(28)22(27)21(26)18-29-32(25(3,4)5,19-14-10-8-11-15-19)20-16-12-9-13-17-20/h8-17,21-24,26-28H,6-7,18H2,1-5H3/t21-,22-,23+/m1/s1.
What are the key properties of (2S,3R,4R)-5-[tert-butyl(diphenyl)silyl]oxy-1,1-bis(ethylsulfanyl)pentane-2,3,4-triol?
(2S,3R,4R)-5-[tert-butyl(diphenyl)silyl]oxy-1,1-bis(ethylsulfanyl)pentane-2,3,4-triol has a molecular weight of 494.80 g/mol, XLogP of 3.48, 12 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R,4R)-5-[tert-butyl(diphenyl)silyl]oxy-1,1-bis(ethylsulfanyl)pentane-2,3,4-triol is sourced from PubChem (CID 11271885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).