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Fmoc-Thr (TBDMS) -OH

CAT: 0926-WFA34682Size: 5 gDry Ice: NoHazardous: No
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CAT#:0926-WFA34682Size:5 g
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CAS Number
146346-82-9
MDL Number
MFCD02092976
Smiles
C[C@H] ([C@@H] (C (=O) O) NC (=O) OCC1C2=CC=CC=C2C3=CC=CC=C13) O[Si] (C) (C) C (C) (C) C
Molecular Formula
C25H33NO5Si
Molecular Weight
455.62 g/mol
Controlled
No

Chemical Information

Fmoc-Thr(TBDMS)-OH
CAS Number146346-82-9
PubChem CID11102500
IUPAC Name(2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-(9H-fluoren-9-ylmethoxycarbonylamino)butanoic acid
Molecular FormulaC25H33NO5Si
Molecular Weight455.6
Topological Polar Surface Area84.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count9
Heavy Atom Count32
Formal Charge0
Complexity654
SMILES
C[C@H]([C@@H](C(=O)O)NC(=O)OCC1C2=CC=CC=C2C3=CC=CC=C13)O[Si](C)(C)C(C)(C)C
InChI
InChI=1S/C25H33NO5Si/c1-16(31-32(5,6)25(2,3)4)22(23(27)28)26-24(29)30-15-21-19-13-9-7-11-17(19)18-12-8-10-14-20(18)21/h7-14,16,21-22H,15H2,1-6H3,(H,26,29)(H,27,28)/t16-,22+/m1/s1
InChIKey
LQMPINNWAPYALU-ZHRRBRCNSA-N
Chemical Structure
2D Structure
2D structure of Fmoc-Thr(TBDMS)-OH
CAS: 146346-82-9
CID: 11102500
Formula: C25H33NO5Si
MW: 455.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight455.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count9
Exact Mass455.21279969
Monoisotopic Mass455.21279969
Topological Polar Surface Area84.9 Ų
Heavy Atom Count32
Formal Charge0
Complexity654
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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