N-[(9H-FLUOREN-9-YLMETHOXY)CARBONYL]-D-GLUTAMIC ACID CAS#: 104091-09-0; ChemWhat Code: 85936

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

Identification

Product NameN-[(9H-FLUOREN-9-YLMETHOXY)CARBONYL]-D-GLUTAMIC ACID
IUPAC Name(2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)pentanedioic acid
Molecular StructureStructure of N-[(9H-FLUOREN-9-YLMETHOXY)CARBONYL]-D-GLUTAMIC ACID CAS# 104091-09-0
CAS Registry Number 104091-09-0
EINECS NumberNo data available
MDL NumberMFCD09037362
Beilstein Registry NumberNo data available
SynonymsFmoc-D-Glu-OH
Molecular FormulaC20H19NO6
Molecular Weight369.368
InChIInChI=1S/C20H19NO6/c22-18(23)10-9-17(19(24)25)21-20(26)27-11-16-14-7-3-1-5-12(14)13-6-2-4-8-15(13)16/h1-8,16-17H,9-11H2,(H,21,26)(H,22,23)(H,24,25)/t17-/m1/s1
InChI KeyQEPWHIXHJNNGLU-QGZVFWFLSA-N
Canonical SMILESc1ccc2c(c1)-c3ccccc3C2COC(=O)N[C@H](CCC(=O)O)C(=O)O
Patent Information
Patent IDTitlePublication Date
US2013/143826CHEMICAL SYNTHESIS AND ANTI-TUMOR AND ANTI-METASTATIC EFFECTS OF DUAL FUNCTIONAL CONJUGATE2013
US9085605Chemical synthesis and anti-tumor and anti-metastatic effects of dual functional conjugate2015

Physical Data

AppearanceWhite powder
SolubilityNo data available
Flash PointNo data available
Refractive indexNo data available
SensitivityNo data available
Description (Association (MCS))Temperature (Association (MCS)), °CPartner (Association (MCS))
Association with compound25D-lysin
Association with compound30D-lysin
Association with compound35D-lysin
Association with compound40D-lysin

Spectra

No data available

Route of Synthesis (ROS)

Route of Synthesis (ROS) of N-[(9H-FLUOREN-9-YLMETHOXY)CARBONYL]-D-GLUTAMIC ACID CAS# 104091-09-0
Route of Synthesis (ROS) of N-[(9H-FLUOREN-9-YLMETHOXY)CARBONYL]-D-GLUTAMIC ACID CAS# 104091-09-0
ConditionsYield
Stage #1: N-Fmoc-D-glutamic acid With dicyclohexyl-carbodiimide In tetrahydrofuran at 20℃; for 8h; Cooling with ice;
Stage #2: With ammonia In tetrahydrofuran for 1.5h; Cooling with ice;		78%

Safety and Hazards

GHS Hazard StatementsNot Classified
Precautionary Statement CodesEnglish Version

Other Data

TransportationNONH for all modes of transport
Under the room temperature and away from light
HS CodeNo data available
StorageUnder the room temperature and away from light
Shelf Life1 year
Market PriceUSD
Druglikeness
Lipinski rules component
Molecular Weight369.374
logP2.54
HBA7
HBD3
Matching Lipinski Rules4
Veber rules component
Polar Surface Area (PSA)112.93
Rotatable Bond (RotB)9
Matching Veber Rules2
Use Pattern
N-[(9H-FLUOREN-9-YLMETHOXY)CARBONYL]-D-GLUTAMIC ACID CAS#: 104091-09-0 used as amino acid.

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