Fmoc-L-aspartic acid

HCID 7019016

Notes Reactions

Substructure search Find similar structures

Basic information

CAS: 119062-05-4
Standard SMILES: O=C(O)C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O
InChIKey: KSDTXRUIZMTBNV-INIZCTEOSA-N
Molecular formula: C19H17NO6
Average molar mass: 355.3 g/mol
Monoisotopic mass: 355.10558726

Names & identifiers

Preferred name: Fmoc-L-aspartic acid
IUPAC: (2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)butanedioic acid
English name: Fmoc-L-aspartic acid
Molecular formula: C19H17NO6
Molecular weight: 355.34

Names & synonyms

119062-05-4Fmoc-L-aspartic acidDTXSID80427054RefChem:345598DTXCID80377888Fmoc-Asp-OHFmoc-L-Asp-OHN-Fmoc-L-aspartic Acid(((9H-Fluoren-9-yl)methoxy)carbonyl)-L-aspartic acidMFCD00237654N-[(9H-Fluoren-9-ylmethoxy)carbonyl]-L-aspartic AcidFMOC-ASPARTIC ACID

Show more names

N-[(9H-FLuoren-9-yLFmoc-DL-Asp-OHFmoc-L-Aspargine15N,97-99％）| 0.05G

(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)butanedioic acidL-ASPARTIC ACID, N-[(9H-FLUOREN-9-YLMETHOXY)CARBONYL]-SCHEMBL378041HY-W013182(S)-2-(9H-fluoren-9-ylmethoxycarbonyl-amino)succinic acidAspartic acid, N-[(9H-fluoren-9-ylmethoxy)carbonyl]-N-(9-Fluorenylmethoxycarbonyl)-L-aspartic-15N acidfmoc-aspartate

Database identifiers

CAS: 119062-05-4
PubChem CID: 7019016
DTXSID: DTXSID80427054
UNII: 9QJ6APP2GU
Nikkaji: J1.808.397C

Properties

Computed structural properties

XLogP: 2.2
Topological polar surface area: 113 Å²
Hydrogen bond donors: 3
Hydrogen bond acceptors: 6
Rotatable bonds: 7
Heavy atoms: 26
Formal charge: 0
Complexity: 528

Physicochemical properties

Melting point: 180 · 180-190 °C
Boiling point: 587.2 · 587.2±45.0 °C(Predicted)
Density: 1.399 · 1.399±0.06 g/cm3(Predicted)
storage temp.: -20 °C · Sealed in dry,Store in freezer, under -20°C
solubility: 1 % · Soluble in water or 1% acetic acid
pka: 3.66 · 3.66±0.23(Predicted)
form: powder to crystal
color: White to Almost white
Water Solubility: Soluble in methanol, and water.
CAS DataBase Reference: 119062 · 119062-05-4(CAS DataBase Reference)
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H315-H319-H335
Precautionary statements: 261 · P261-P301+P312-P302+P352-P304+P340-P305+P351+P338
Safety Statements: 24 · 24/25
WGK Germany: 3 · 3
HS Code: 29225090 · 29225090