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

C15H34O4S2Si — CID 10571231

IUPAC(2R,3S,4R)-5-[tert-butyl(dimethyl)silyl]oxy-1,1-bis(ethylsulfanyl)pentane-2,3,4-triol
SMILESCCSC(SCC)[C@H](O)[C@@H](O)[C@H](O)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C15H34O4S2Si/c1-8-20-14(21-9-2)13(18)12(17)11(16)10-19-22(6,7)15(3,4)5/h11-14,16-18H,8-10H2,1-7H3/t11-,12+,13-/m1/s1
InChIKeyBHCHVFDGGRDYNS-FRRDWIJNSA-N
MW370.65 g/mol
LogP2.92
Rot. Bonds10

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

(2R,3S,4R)-5-[tert-butyl(dimethyl)silyl]oxy-1,1-bis(ethylsulfanyl)pentane-2,3,4-triol (PubChem CID 10571231) has the molecular formula C15H34O4S2Si and a molecular weight of 370.65 g/mol. Its IUPAC name is (2R,3S,4R)-5-[tert-butyl(dimethyl)silyl]oxy-1,1-bis(ethylsulfanyl)pentane-2,3,4-triol.

Molecular Properties

Compound Name(2R,3S,4R)-5-[tert-butyl(dimethyl)silyl]oxy-1,1-bis(ethylsulfanyl)pentane-2,3,4-triol
PubChem CID10571231
Molecular FormulaC15H34O4S2Si
Molecular Weight370.65 g/mol
Exact Mass370.17
IUPAC Name(2R,3S,4R)-5-[tert-butyl(dimethyl)silyl]oxy-1,1-bis(ethylsulfanyl)pentane-2,3,4-triol
SMILESCCSC(SCC)[C@H](O)[C@@H](O)[C@H](O)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C15H34O4S2Si/c1-8-20-14(21-9-2)13(18)12(17)11(16)10-19-22(6,7)15(3,4)5/h11-14,16-18H,8-10H2,1-7H3/t11-,12+,13-/m1/s1
InChIKeyBHCHVFDGGRDYNS-FRRDWIJNSA-N
XLogP2.92
TPSA69.92 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.65
LogP ≤ 52.92
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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Frequently Asked Questions

What is the IUPAC name of (2R,3S,4R)-5-[tert-butyl(dimethyl)silyl]oxy-1,1-bis(ethylsulfanyl)pentane-2,3,4-triol?
The IUPAC name of (2R,3S,4R)-5-[tert-butyl(dimethyl)silyl]oxy-1,1-bis(ethylsulfanyl)pentane-2,3,4-triol (CID 10571231) is (2R,3S,4R)-5-[tert-butyl(dimethyl)silyl]oxy-1,1-bis(ethylsulfanyl)pentane-2,3,4-triol.
What is the SMILES notation for (2R,3S,4R)-5-[tert-butyl(dimethyl)silyl]oxy-1,1-bis(ethylsulfanyl)pentane-2,3,4-triol?
The canonical SMILES for (2R,3S,4R)-5-[tert-butyl(dimethyl)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](C)(C)C(C)(C)C.
What is the InChIKey of (2R,3S,4R)-5-[tert-butyl(dimethyl)silyl]oxy-1,1-bis(ethylsulfanyl)pentane-2,3,4-triol?
The InChIKey is BHCHVFDGGRDYNS-FRRDWIJNSA-N. The full InChI is InChI=1S/C15H34O4S2Si/c1-8-20-14(21-9-2)13(18)12(17)11(16)10-19-22(6,7)15(3,4)5/h11-14,16-18H,8-10H2,1-7H3/t11-,12+,13-/m1/s1.
What are the key properties of (2R,3S,4R)-5-[tert-butyl(dimethyl)silyl]oxy-1,1-bis(ethylsulfanyl)pentane-2,3,4-triol?
(2R,3S,4R)-5-[tert-butyl(dimethyl)silyl]oxy-1,1-bis(ethylsulfanyl)pentane-2,3,4-triol has a molecular weight of 370.65 g/mol, XLogP of 2.92, 10 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,4R)-5-[tert-butyl(dimethyl)silyl]oxy-1,1-bis(ethylsulfanyl)pentane-2,3,4-triol is sourced from PubChem (CID 10571231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).