4-[[(2R,3S,4R,5R,6R)-6-(Benzyloxy)-3-[(diphenoxyphosphoryl)oxy]-4-(tetradecanoyloxy)-5-[(S)-3-(tetradecanoyloxy)tetradecanamido]-2-tetrahydropyranyl]methoxy]-4-oxobutanoic Acid - CAS 110611-91-1
Catalog: |
BB002653 |
Product Name: |
4-[[(2R,3S,4R,5R,6R)-6-(Benzyloxy)-3-[(diphenoxyphosphoryl)oxy]-4-(tetradecanoyloxy)-5-[(S)-3-(tetradecanoyloxy)tetradecanamido]-2-tetrahydropyranyl]methoxy]-4-oxobutanoic Acid |
CAS: |
110611-91-1 |
Synonyms: |
4-bromobutanoic acid tert-butyl ester; tert-butyl 4-bromobutanoate |
IUPAC Name: | tert-butyl 4-bromobutanoate |
Description: | 4-[[(2R,3S,4R,5R,6R)-6-(Benzyloxy)-3-[(diphenoxyphosphoryl)oxy]-4-(tetradecanoyloxy)-5-[(S)-3-(tetradecanoyloxy)tetradecanamido]-2-tetrahydropyranyl]methoxy]-4-oxobutanoic Acid (CAS# 110611-91-1 ) is a useful research chemical. |
Molecular Weight: | 1248.60 |
Molecular Formula: | C71H110NO15P |
Canonical SMILES: | CC(C)(C)OC(=O)CCCBr |
InChI: | InChI=1S/C8H15BrO2/c1-8(2,3)11-7(10)5-4-6-9/h4-6H2,1-3H3 |
InChI Key: | HJEZRYIJNHAIGY-UHFFFAOYSA-N |
Boiling Point: | 225.9 °C at 760 mmHg |
Density: | 1.258 g/cm3 |
MDL: | MFCD02179416 |
LogP: | 2.50320 |
GHS Hazard Statement: | H315 (66.67%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P310, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Danger |
Publication Number | Title | Priority Date |
CN-113072637-A | Semicarbazide antigen, colloidal gold immunochromatography detection device and detection judgment method | 20210331 |
CN-112979457-A | Bisphenol diglycidyl ether compound hapten and synthesis method thereof | 20210201 |
CN-112552367-A | Digoxin derivative and preparation method thereof | 20201211 |
CN-112462047-A | Nicarbazin detection kit and application thereof | 20201113 |
WO-2021207291-A1 | Compounds and uses thereof | 20200406 |
Complexity: | 127 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 222.02554 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 222.02554 |
Rotatable Bond Count: | 5 |
Topological Polar Surface Area: | 26.3 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.2 |
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