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FMOC-MeThr (Me) -OH

CAT: 0127-OR1006212Size: 1 EachDry Ice: NoHazardous: No
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CAT#:0127-OR1006212Size:1 Each
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CAS Number
1645308-94-6
Purity
95%
Smiles
C(OC(N([C@@H]([C@H](OC)C)C(O)=O)C)=O)C1C=2C(C=3C1=CC=CC3)=CC=CC2

Chemical Information

FMOC-MeThr(Me)-OH
CAS Number1645308-94-6
PubChem CID155904277
IUPAC Name(2S,3R)-2-[9H-fluoren-9-ylmethoxycarbonyl(methyl)amino]-3-methoxybutanoic acid
Molecular FormulaC21H23NO5
Molecular Weight369.4
XLogP3.2
Topological Polar Surface Area76.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count7
Heavy Atom Count27
Formal Charge0
Complexity517
SMILES
C[C@H]([C@@H](C(=O)O)N(C)C(=O)OCC1C2=CC=CC=C2C3=CC=CC=C13)OC
InChI
InChI=1S/C21H23NO5/c1-13(26-3)19(20(23)24)22(2)21(25)27-12-18-16-10-6-4-8-14(16)15-9-5-7-11-17(15)18/h4-11,13,18-19H,12H2,1-3H3,(H,23,24)/t13-,19+/m1/s1
InChIKey
QYWLMYHZOUJCGC-YJYMSZOUSA-N
Chemical Structure
2D Structure
2D structure of FMOC-MeThr(Me)-OH
CAS: 1645308-94-6
CID: 155904277
Formula: C21H23NO5
MW: 369.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight369.4
XLogP33.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count7
Exact Mass369.15762283
Monoisotopic Mass369.15762283
Topological Polar Surface Area76.1 Ų
Heavy Atom Count27
Formal Charge0
Complexity517
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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