5,8,11,14,17,20,23,26-Octaoxa-2-azanonacosanedioic acid,1-(9-fluren-9-ylmethyl)ester CAS#: 756526-02-0; ChemWhat Code: 1162602

IdentificationPhysical DataSpectra
Route of Synthesis (ROS)Safety and HazardsOther Data

Identification

Product Name5,8,11,14,17,20,23,26-Octaoxa-2-azanonacosanedioic acid,1-(9-fluren-9-ylmethyl)ester
IUPAC Name3-[2-[2-[2-[2-[2-[2-[2-[2-(9H-fluoren-9-ylmethoxycarbonylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid
Molecular StructureStructure of 5,8,11,14,17,20,23,26-Octaoxa-2-azanonacosanedioic acid,1-(9-fluren-9-ylmethyl)ester CAS# 756526-02-0
CAS Registry Number 756526-02-0
EINECS NumberNo data available
MDL NumberMFCD11041143
Beilstein Registry NumberNo data available
Synonyms5,8,11,14,17,20,23,26-octaoxa-2-azanonacosanedioic acid, 1-(9H-fluoren-9-ylmethyl) esterFmoc-NH-PEG8-PAFmoc-PEG8-COOHFmoc-N-amido-PEG8-acidFmoc-NH-PEG8-COOHN-Fmoc-amido-dPEG8-acidN-Fmoc-amino-dPEG8-acidFmoc-PEG8-CH2CH2-COOH
Molecular FormulaC34H49NO12
Molecular Weight663.752
InChIInChI=1S/C34H49NO12/c36-33(37)9-11-39-13-15-41-17-19-43-21-23-45-25-26-46-24-22-44-20-18-42-16-14-40-12-10-35-34(38)47-27-32-30-7-3-1-5-28(30)29-6-2-4-8-31(29)32/h1-8,32H,9-27H2,(H,35,38)(H,36,37)
InChI KeyVYXGUCLTEWCVRY-UHFFFAOYSA-N
Canonical SMILESc1ccc2c(c1)-c3ccccc3C2COC(=O)NCCOCCOCCOCCOCCOCCOCCOCCOCCC(=O)O
Patent Information
No data available

Physical Data

AppearancePale yellow or colorless oily
SolubilityNo data available
Flash PointNo data available
Refractive indexNo data available
SensitivityNo data available

Spectra

No data available

Route of Synthesis (ROS)

Route of Synthesis (ROS) of 5,8,11,14,17,20,23,26-Octaoxa-2-azanonacosanedioic acid,1-(9-fluren-9-ylmethyl)ester CAS# 756526-02-0
Route of Synthesis (ROS) of 5,8,11,14,17,20,23,26-Octaoxa-2-azanonacosanedioic acid,1-(9-fluren-9-ylmethyl)ester CAS# 756526-02-0
ConditionsYield
With dicyclohexyl-carbodiimide In tetrahydrofuran at 20℃;93%
With dicyclohexyl-carbodiimide In tetrahydrofuran at 20℃;93%
With dicyclohexyl-carbodiimide In tetrahydrofuran at 20℃;93%
With dicyclohexyl-carbodiimide In tetrahydrofuran at 20℃;93%

Safety and Hazards

GHS Hazard StatementsNot Classified

Other Data

TransportationUnder the room temperature and away from light
HS Code292429
StorageUnder the room temperature and away from light
Shelf Life1 year
Market PriceUSD
Druglikeness
Lipinski rules component
Molecular Weight663.763
logP1.177
HBA13
HBD2
Matching Lipinski Rules2
Veber rules component
Polar Surface Area (PSA)149.47
Rotatable Bond (RotB)31
Matching Veber Rules0
Use Pattern
5,8,11,14,17,20,23,26-Octaoxa-2-azanonacosanedioic acid,1-(9-fluren-9-ylmethyl)ester CAS#: 756526-02-0 is a polyethylene glycol (PEG) linker to facilitate antibody-drug conjugate (ADC) development projects.

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