(2S,3R,4R,5R,6R)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-phenylselanyl-6-(trityloxymethyl)oxan-3-ol

C43H58O5SeSi2 — CID 101051182

IUPAC(2S,3R,4R,5R,6R)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-phenylselanyl-6-(trityloxymethyl)oxan-3-ol
SMILESCC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](O)[C@H]([Se]c2ccccc2)O[C@H](COC(c2ccccc2)(c2ccccc2)c2ccccc2)[C@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C43H58O5SeSi2/c1-41(2,3)50(7,8)47-38-36(46-40(49-35-29-21-14-22-30-35)37(44)39(38)48-51(9,10)42(4,5)6)31-45-43(32-23-15-11-16-24-32,33-25-17-12-18-26-33)34-27-19-13-20-28-34/h11-30,36-40,44H,31H2,1-10H3/t36-,37-,38-,39-,40+/m1/s1
InChIKeyCQRXNTIOFYVPSU-VTDZCKIGSA-N
MW790.06 g/mol
LogP8.89
Rot. Bonds12

About (2S,3R,4R,5R,6R)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-phenylselanyl-6-(trityloxymethyl)oxan-3-ol

(2S,3R,4R,5R,6R)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-phenylselanyl-6-(trityloxymethyl)oxan-3-ol (PubChem CID 101051182) has the molecular formula C43H58O5SeSi2 and a molecular weight of 790.06 g/mol. Its IUPAC name is (2S,3R,4R,5R,6R)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-phenylselanyl-6-(trityloxymethyl)oxan-3-ol.

Molecular Properties

Compound Name(2S,3R,4R,5R,6R)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-phenylselanyl-6-(trityloxymethyl)oxan-3-ol
PubChem CID101051182
Molecular FormulaC43H58O5SeSi2
Molecular Weight790.06 g/mol
Exact Mass790.30
IUPAC Name(2S,3R,4R,5R,6R)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-phenylselanyl-6-(trityloxymethyl)oxan-3-ol
SMILESCC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](O)[C@H]([Se]c2ccccc2)O[C@H](COC(c2ccccc2)(c2ccccc2)c2ccccc2)[C@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C43H58O5SeSi2/c1-41(2,3)50(7,8)47-38-36(46-40(49-35-29-21-14-22-30-35)37(44)39(38)48-51(9,10)42(4,5)6)31-45-43(32-23-15-11-16-24-32,33-25-17-12-18-26-33)34-27-19-13-20-28-34/h11-30,36-40,44H,31H2,1-10H3/t36-,37-,38-,39-,40+/m1/s1
InChIKeyCQRXNTIOFYVPSU-VTDZCKIGSA-N
XLogP8.89
TPSA57.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500790.06
LogP ≤ 58.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(1S)-1-[(2R,3R,4R,5R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-(trityloxymethyl)oxolan-2-yl]ethanol
CID 11285204
(3R,4R,5R)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-3-[tert-butyl(dimethyl)silyl]oxyoxolane-2,4-diol
CID 69329004
(1R,3R,4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-methylidene-3-(trityloxymethyl)cyclopentan-1-ol
CID 46928266
[(1R,2R,4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-(trityloxymethyl)cyclopentyl]methanol
CID 101470588
[(2R,3S,4S,5R,6S)-5-benzoyloxy-4-[tert-butyl(dimethyl)silyl]oxy-6-propan-2-ylsulfanyl-2-(trityloxymethyl)oxan-3-yl] benzoate
CID 11814755
(2S,3R,4R,5R)-3,4-bis[[tert-butyl(diphenyl)silyl]oxy]-5-(trityloxymethyl)oxolane-2-carbaldehyde
CID 10930945
(2R,3S,4R,6S)-6-methoxy-2-(trityloxymethyl)oxane-3,4-diol
CID 11811858
[(2R,3R,4R,5R,6R)-3,4-diacetyloxy-5-hydroxy-6-phenylselanyloxan-2-yl]methyl acetate
CID 10939193
(2S,3R,4R)-2-(trityloxymethyl)oxolane-3,4-diol
CID 101240446
(2S,4S,5R)-5-(trityloxymethyl)oxolane-2,4-diol
CID 171126516
2-(trityloxymethyl)oxane-3,4,5-triol
CID 73104798
(2S,3R,4S,5R)-2-methoxy-5-(trityloxymethyl)oxolane-3,4-diol
CID 70409526

Frequently Asked Questions

What is the IUPAC name of (2S,3R,4R,5R,6R)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-phenylselanyl-6-(trityloxymethyl)oxan-3-ol?
The IUPAC name of (2S,3R,4R,5R,6R)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-phenylselanyl-6-(trityloxymethyl)oxan-3-ol (CID 101051182) is (2S,3R,4R,5R,6R)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-phenylselanyl-6-(trityloxymethyl)oxan-3-ol.
What is the SMILES notation for (2S,3R,4R,5R,6R)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-phenylselanyl-6-(trityloxymethyl)oxan-3-ol?
The canonical SMILES for (2S,3R,4R,5R,6R)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-phenylselanyl-6-(trityloxymethyl)oxan-3-ol is CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](O)[C@H]([Se]c2ccccc2)O[C@H](COC(c2ccccc2)(c2ccccc2)c2ccccc2)[C@H]1O[Si](C)(C)C(C)(C)C.
What is the InChIKey of (2S,3R,4R,5R,6R)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-phenylselanyl-6-(trityloxymethyl)oxan-3-ol?
The InChIKey is CQRXNTIOFYVPSU-VTDZCKIGSA-N. The full InChI is InChI=1S/C43H58O5SeSi2/c1-41(2,3)50(7,8)47-38-36(46-40(49-35-29-21-14-22-30-35)37(44)39(38)48-51(9,10)42(4,5)6)31-45-43(32-23-15-11-16-24-32,33-25-17-12-18-26-33)34-27-19-13-20-28-34/h11-30,36-40,44H,31H2,1-10H3/t36-,37-,38-,39-,40+/m1/s1.
What are the key properties of (2S,3R,4R,5R,6R)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-phenylselanyl-6-(trityloxymethyl)oxan-3-ol?
(2S,3R,4R,5R,6R)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-phenylselanyl-6-(trityloxymethyl)oxan-3-ol has a molecular weight of 790.06 g/mol, XLogP of 8.89, 12 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R,4R,5R,6R)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-phenylselanyl-6-(trityloxymethyl)oxan-3-ol is sourced from PubChem (CID 101051182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).