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Fmoc-3,5-dinitro-Tyr-OH

CAT: 0121-4028488.0001Size: 1 gDry Ice: NoHazardous: No
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CAT#:0121-4028488.0001Size:1 g
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CAS Number
195434-42-5
Specifications
B-3265.0001
Sequence
Fmoc-3,5-dinitro-Tyr-OH
Molecular Formula
C₂₄H₁₉N₃O₉
Molecular Weight
493.43
Shipping Conditions
Ambient Temperature
Storage Temperature
< -15°C

Chemical Information

Fmoc-3,5-dinitro-Tyr-OH
CAS Number195434-42-5
PubChem CID22881259
IUPAC Name(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-(4-hydroxy-3,5-dinitrophenyl)propanoic acid
Molecular FormulaC24H19N3O9
Molecular Weight493.4
XLogP4.5
Topological Polar Surface Area188
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count9
Rotatable Bond Count7
Heavy Atom Count36
Formal Charge0
Complexity798
SMILES
C1=CC=C2C(=C1)C(C3=CC=CC=C32)COC(=O)N[C@@H](CC4=CC(=C(C(=C4)[N+](=O)[O-])O)[N+](=O)[O-])C(=O)O
InChI
InChI=1S/C24H19N3O9/c28-22-20(26(32)33)10-13(11-21(22)27(34)35)9-19(23(29)30)25-24(31)36-12-18-16-7-3-1-5-14(16)15-6-2-4-8-17(15)18/h1-8,10-11,18-19,28H,9,12H2,(H,25,31)(H,29,30)/t19-/m0/s1
InChIKey
UQHMVDPPLJEJHZ-IBGZPJMESA-N
Chemical Structure
2D Structure
2D structure of Fmoc-3,5-dinitro-Tyr-OH
CAS: 195434-42-5
CID: 22881259
Formula: C24H19N3O9
MW: 493.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight493.4
XLogP34.5
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count9
Rotatable Bond Count7
Exact Mass493.11212919
Monoisotopic Mass493.11212919
Topological Polar Surface Area188 Ų
Heavy Atom Count36
Formal Charge0
Complexity798
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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450359-01Fmoc-3,5-dinitro-tyr-oh
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