(1S)-1-[(2R,3R,4R,5R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-(trityloxymethyl)oxolan-2-yl]ethanol

C38H56O5Si2 — CID 11285204

IUPAC(1S)-1-[(2R,3R,4R,5R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-(trityloxymethyl)oxolan-2-yl]ethanol
SMILESC[C@H](O)[C@H]1O[C@H](COC(c2ccccc2)(c2ccccc2)c2ccccc2)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C38H56O5Si2/c1-28(39)33-35(43-45(10,11)37(5,6)7)34(42-44(8,9)36(2,3)4)32(41-33)27-40-38(29-21-15-12-16-22-29,30-23-17-13-18-24-30)31-25-19-14-20-26-31/h12-26,28,32-35,39H,27H2,1-11H3/t28-,32+,33+,34+,35+/m0/s1
InChIKeyNZDQUQRUKKTYMA-RXFHZEGLSA-N
MW649.03 g/mol
LogP8.92
Rot. Bonds11

About (1S)-1-[(2R,3R,4R,5R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-(trityloxymethyl)oxolan-2-yl]ethanol

(1S)-1-[(2R,3R,4R,5R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-(trityloxymethyl)oxolan-2-yl]ethanol (PubChem CID 11285204) has the molecular formula C38H56O5Si2 and a molecular weight of 649.03 g/mol. Its IUPAC name is (1S)-1-[(2R,3R,4R,5R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-(trityloxymethyl)oxolan-2-yl]ethanol.

Molecular Properties

Compound Name(1S)-1-[(2R,3R,4R,5R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-(trityloxymethyl)oxolan-2-yl]ethanol
PubChem CID11285204
Molecular FormulaC38H56O5Si2
Molecular Weight649.03 g/mol
Exact Mass648.37
IUPAC Name(1S)-1-[(2R,3R,4R,5R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-(trityloxymethyl)oxolan-2-yl]ethanol
SMILESC[C@H](O)[C@H]1O[C@H](COC(c2ccccc2)(c2ccccc2)c2ccccc2)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C38H56O5Si2/c1-28(39)33-35(43-45(10,11)37(5,6)7)34(42-44(8,9)36(2,3)4)32(41-33)27-40-38(29-21-15-12-16-22-29,30-23-17-13-18-24-30)31-25-19-14-20-26-31/h12-26,28,32-35,39H,27H2,1-11H3/t28-,32+,33+,34+,35+/m0/s1
InChIKeyNZDQUQRUKKTYMA-RXFHZEGLSA-N
XLogP8.92
TPSA57.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500649.03
LogP ≤ 58.92
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

(2S,3R,4R,5R,6R)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-phenylselanyl-6-(trityloxymethyl)oxan-3-ol
CID 101051182
[(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
(3R,4R,5R)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-3-[tert-butyl(dimethyl)silyl]oxyoxolane-2,4-diol
CID 69329004
[(1R,2R,4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-(trityloxymethyl)cyclopentyl]methanol
CID 101470588
(2S,3R,4R,5R)-3,4-bis[[tert-butyl(diphenyl)silyl]oxy]-5-(trityloxymethyl)oxolane-2-carbaldehyde
CID 10930945
[(2R,3R,4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-(2,4-dioxopyrimidin-1-yl)-2-(trityloxymethyl)oxolan-3-yl] dihydrogen phosphite
CID 71623391
(1R,3R,4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-methylidene-3-(trityloxymethyl)cyclopentan-1-ol
CID 46928266
[(2R,3R,4S,5S)-4,5,6-tris(2,2-dimethylpropanoyloxy)-2-(trityloxymethyl)oxan-3-yl] 2,2-dimethylpropanoate
CID 57366047
3-[[(2S,3S,4R,5R)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-[tert-butyl(dimethyl)silyl]oxy-2-methyloxolan-3-yl]oxy-methylphosphanyl]oxypropanenitrile
CID 175620903
[(2R,3S,4S,5R,6S)-4,5,6-triacetyloxy-2-(trityloxymethyl)oxan-3-yl] acetate
CID 12897868
(2R,3R,6S)-6-propan-2-yloxy-2-(trityloxymethyl)-3,6-dihydro-2H-pyran-3-ol
CID 11316368
(2S,4S,5R)-5-(trityloxymethyl)oxolane-2,4-diol
CID 171126516

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[(2R,3R,4R,5R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-(trityloxymethyl)oxolan-2-yl]ethanol?
The IUPAC name of (1S)-1-[(2R,3R,4R,5R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-(trityloxymethyl)oxolan-2-yl]ethanol (CID 11285204) is (1S)-1-[(2R,3R,4R,5R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-(trityloxymethyl)oxolan-2-yl]ethanol.
What is the SMILES notation for (1S)-1-[(2R,3R,4R,5R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-(trityloxymethyl)oxolan-2-yl]ethanol?
The canonical SMILES for (1S)-1-[(2R,3R,4R,5R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-(trityloxymethyl)oxolan-2-yl]ethanol is C[C@H](O)[C@H]1O[C@H](COC(c2ccccc2)(c2ccccc2)c2ccccc2)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[Si](C)(C)C(C)(C)C.
What is the InChIKey of (1S)-1-[(2R,3R,4R,5R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-(trityloxymethyl)oxolan-2-yl]ethanol?
The InChIKey is NZDQUQRUKKTYMA-RXFHZEGLSA-N. The full InChI is InChI=1S/C38H56O5Si2/c1-28(39)33-35(43-45(10,11)37(5,6)7)34(42-44(8,9)36(2,3)4)32(41-33)27-40-38(29-21-15-12-16-22-29,30-23-17-13-18-24-30)31-25-19-14-20-26-31/h12-26,28,32-35,39H,27H2,1-11H3/t28-,32+,33+,34+,35+/m0/s1.
What are the key properties of (1S)-1-[(2R,3R,4R,5R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-(trityloxymethyl)oxolan-2-yl]ethanol?
(1S)-1-[(2R,3R,4R,5R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-(trityloxymethyl)oxolan-2-yl]ethanol has a molecular weight of 649.03 g/mol, XLogP of 8.92, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[(2R,3R,4R,5R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-(trityloxymethyl)oxolan-2-yl]ethanol is sourced from PubChem (CID 11285204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).