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(S) -Fmoc-β-hydroxy-valine

CAT: 0024-sc-473137Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0024-sc-473137Size:100 mg
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CAS Number
1217603-41-2

Chemical Information

(2S)-2-((((9H-fluoren-9-yl)methoxy)carbonyl)amino)-3-hydroxy-3-methylbutanoic acid
CAS Number1217603-41-2
PubChem CID46737424
IUPAC Name(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-hydroxy-3-methylbutanoic acid
Molecular FormulaC20H21NO5
Molecular Weight355.4
XLogP2.6
Topological Polar Surface Area95.9
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count6
Heavy Atom Count26
Formal Charge0
Complexity512
SMILES
CC(C)([C@@H](C(=O)O)NC(=O)OCC1C2=CC=CC=C2C3=CC=CC=C13)O
InChI
InChI=1S/C20H21NO5/c1-20(2,25)17(18(22)23)21-19(24)26-11-16-14-9-5-3-7-12(14)13-8-4-6-10-15(13)16/h3-10,16-17,25H,11H2,1-2H3,(H,21,24)(H,22,23)/t17-/m1/s1
InChIKey
KIOMNBRJPAICIT-QGZVFWFLSA-N
Chemical Structure
2D Structure
2D structure of (2S)-2-((((9H-fluoren-9-yl)methoxy)carbonyl)amino)-3-hydroxy-3-methylbutanoic acid
CAS: 1217603-41-2
CID: 46737424
Formula: C20H21NO5
MW: 355.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight355.4
XLogP32.6
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count6
Exact Mass355.14197277
Monoisotopic Mass355.14197277
Topological Polar Surface Area95.9 Ų
Heavy Atom Count26
Formal Charge0
Complexity512
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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