(2S,3R,4R,5R)-3,4-bis[[tert-butyl(diphenyl)silyl]oxy]-5-(trityloxymethyl)oxolane-2-carbaldehyde

C57H60O5Si2 — CID 10930945

IUPAC(2S,3R,4R,5R)-3,4-bis[[tert-butyl(diphenyl)silyl]oxy]-5-(trityloxymethyl)oxolane-2-carbaldehyde
SMILESCC(C)(C)[Si](O[C@H]1[C@H](O[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)[C@@H](COC(c2ccccc2)(c2ccccc2)c2ccccc2)O[C@@H]1C=O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C57H60O5Si2/c1-55(2,3)63(47-34-20-10-21-35-47,48-36-22-11-23-37-48)61-53-51(42-58)60-52(54(53)62-64(56(4,5)6,49-38-24-12-25-39-49)50-40-26-13-27-41-50)43-59-57(44-28-14-7-15-29-44,45-30-16-8-17-31-45)46-32-18-9-19-33-46/h7-42,51-54H,43H2,1-6H3/t51-,52-,53-,54-/m1/s1
InChIKeyVDAIGYMQEIYXQW-DOLHKDQQSA-N
MW881.27 g/mol
LogP9.85
Rot. Bonds15

About (2S,3R,4R,5R)-3,4-bis[[tert-butyl(diphenyl)silyl]oxy]-5-(trityloxymethyl)oxolane-2-carbaldehyde

(2S,3R,4R,5R)-3,4-bis[[tert-butyl(diphenyl)silyl]oxy]-5-(trityloxymethyl)oxolane-2-carbaldehyde (PubChem CID 10930945) has the molecular formula C57H60O5Si2 and a molecular weight of 881.27 g/mol. Its IUPAC name is (2S,3R,4R,5R)-3,4-bis[[tert-butyl(diphenyl)silyl]oxy]-5-(trityloxymethyl)oxolane-2-carbaldehyde.

Molecular Properties

Compound Name(2S,3R,4R,5R)-3,4-bis[[tert-butyl(diphenyl)silyl]oxy]-5-(trityloxymethyl)oxolane-2-carbaldehyde
PubChem CID10930945
Molecular FormulaC57H60O5Si2
Molecular Weight881.27 g/mol
Exact Mass880.40
IUPAC Name(2S,3R,4R,5R)-3,4-bis[[tert-butyl(diphenyl)silyl]oxy]-5-(trityloxymethyl)oxolane-2-carbaldehyde
SMILESCC(C)(C)[Si](O[C@H]1[C@H](O[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)[C@@H](COC(c2ccccc2)(c2ccccc2)c2ccccc2)O[C@@H]1C=O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C57H60O5Si2/c1-55(2,3)63(47-34-20-10-21-35-47,48-36-22-11-23-37-48)61-53-51(42-58)60-52(54(53)62-64(56(4,5)6,49-38-24-12-25-39-49)50-40-26-13-27-41-50)43-59-57(44-28-14-7-15-29-44,45-30-16-8-17-31-45)46-32-18-9-19-33-46/h7-42,51-54H,43H2,1-6H3/t51-,52-,53-,54-/m1/s1
InChIKeyVDAIGYMQEIYXQW-DOLHKDQQSA-N
XLogP9.85
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds15
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500881.27
LogP ≤ 59.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(2S,3S,4S,5R,6R)-4,5-bis[[tert-butyl(diphenyl)silyl]oxy]-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-iodooxan-2-ol
CID 171122436
(3aR,5S,6R,6aR)-6-[tert-butyl(diphenyl)silyl]oxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole-5-carbaldehyde
CID 11224080
(1S)-1-[(2R,3R,4R,5R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-(trityloxymethyl)oxolan-2-yl]ethanol
CID 11285204
(2S,3R,4R,5R,6R)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-phenylselanyl-6-(trityloxymethyl)oxan-3-ol
CID 101051182
(3aS,4R,6S,6aS)-4-[tert-butyl(diphenyl)silyl]oxy-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole-6-carbaldehyde
CID 102191385
[(2S,3S,4R,5R)-4-benzoyloxy-3-[tert-butyl(diphenyl)silyl]oxy-5-hydroxyoxolan-2-yl]methyl benzoate
CID 171122516
(2R,3R,4S)-3-[tert-butyl(diphenyl)silyl]oxy-4-[(1E,3E)-penta-1,3-dienyl]oxolane-2-carbaldehyde
CID 25104770
[(2R,3R,4R)-3,4-bis[[tert-butyl(diphenyl)silyl]oxy]-3,4-dihydro-2H-pyran-2-yl]methyl formate
CID 10628040
tert-butyl-diphenyl-(8-trityloxyoctoxy)silane
CID 102242281
[(3S,4R,5R,6S)-5-[tert-butyl(diphenyl)silyl]oxy-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,4-dihydroxyoxan-3-yl] acetate
CID 134931192
cis-(1R,2R)-2-[tert-butyl(diphenyl)silyl]oxycyclohexane-1-carbaldehyde
CID 58018792
(3S,4S,5S,6S)-3-[tert-butyl(diphenyl)silyl]oxy-6-(hydroxymethyl)oxane-2,4,5-triol
CID 10811969

Frequently Asked Questions

What is the IUPAC name of (2S,3R,4R,5R)-3,4-bis[[tert-butyl(diphenyl)silyl]oxy]-5-(trityloxymethyl)oxolane-2-carbaldehyde?
The IUPAC name of (2S,3R,4R,5R)-3,4-bis[[tert-butyl(diphenyl)silyl]oxy]-5-(trityloxymethyl)oxolane-2-carbaldehyde (CID 10930945) is (2S,3R,4R,5R)-3,4-bis[[tert-butyl(diphenyl)silyl]oxy]-5-(trityloxymethyl)oxolane-2-carbaldehyde.
What is the SMILES notation for (2S,3R,4R,5R)-3,4-bis[[tert-butyl(diphenyl)silyl]oxy]-5-(trityloxymethyl)oxolane-2-carbaldehyde?
The canonical SMILES for (2S,3R,4R,5R)-3,4-bis[[tert-butyl(diphenyl)silyl]oxy]-5-(trityloxymethyl)oxolane-2-carbaldehyde is CC(C)(C)[Si](O[C@H]1[C@H](O[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)[C@@H](COC(c2ccccc2)(c2ccccc2)c2ccccc2)O[C@@H]1C=O)(c1ccccc1)c1ccccc1.
What is the InChIKey of (2S,3R,4R,5R)-3,4-bis[[tert-butyl(diphenyl)silyl]oxy]-5-(trityloxymethyl)oxolane-2-carbaldehyde?
The InChIKey is VDAIGYMQEIYXQW-DOLHKDQQSA-N. The full InChI is InChI=1S/C57H60O5Si2/c1-55(2,3)63(47-34-20-10-21-35-47,48-36-22-11-23-37-48)61-53-51(42-58)60-52(54(53)62-64(56(4,5)6,49-38-24-12-25-39-49)50-40-26-13-27-41-50)43-59-57(44-28-14-7-15-29-44,45-30-16-8-17-31-45)46-32-18-9-19-33-46/h7-42,51-54H,43H2,1-6H3/t51-,52-,53-,54-/m1/s1.
What are the key properties of (2S,3R,4R,5R)-3,4-bis[[tert-butyl(diphenyl)silyl]oxy]-5-(trityloxymethyl)oxolane-2-carbaldehyde?
(2S,3R,4R,5R)-3,4-bis[[tert-butyl(diphenyl)silyl]oxy]-5-(trityloxymethyl)oxolane-2-carbaldehyde has a molecular weight of 881.27 g/mol, XLogP of 9.85, 15 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R,4R,5R)-3,4-bis[[tert-butyl(diphenyl)silyl]oxy]-5-(trityloxymethyl)oxolane-2-carbaldehyde is sourced from PubChem (CID 10930945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).