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Fmoc-Tyr-Ome

CAT: 0127-OR1013399-01Size: 5 gDry Ice: NoHazardous: No
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CAT#:0127-OR1013399-01Size:5 g
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
82911-79-3
MDL Number
MFCD03428013
Purity
98%
Smiles
COC(=O)[C@@H](Cc1ccc(O)cc1)NC(=O)OCC2c3ccccc3c4ccccc24

Chemical Information

(S)-Methyl 2-((((9H-fluoren-9-yl)methoxy)carbonyl)amino)-3-(4-hydroxyphenyl)propanoate
CAS Number82911-79-3
PubChem CID10884245
IUPAC Namemethyl (2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-(4-hydroxyphenyl)propanoate
Molecular FormulaC25H23NO5
Molecular Weight417.5
XLogP4.6
Topological Polar Surface Area84.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count8
Heavy Atom Count31
Formal Charge0
Complexity595
SMILES
COC(=O)[C@H](CC1=CC=C(C=C1)O)NC(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24
InChI
InChI=1S/C25H23NO5/c1-30-24(28)23(14-16-10-12-17(27)13-11-16)26-25(29)31-15-22-20-8-4-2-6-18(20)19-7-3-5-9-21(19)22/h2-13,22-23,27H,14-15H2,1H3,(H,26,29)/t23-/m0/s1
InChIKey
NWIXWDJMIUGINH-QHCPKHFHSA-N
Chemical Structure
2D Structure
2D structure of (S)-Methyl 2-((((9H-fluoren-9-yl)methoxy)carbonyl)amino)-3-(4-hydroxyphenyl)propanoate
CAS: 82911-79-3
CID: 10884245
Formula: C25H23NO5
MW: 417.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight417.5
XLogP34.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count8
Exact Mass417.15762283
Monoisotopic Mass417.15762283
Topological Polar Surface Area84.9 Ų
Heavy Atom Count31
Formal Charge0
Complexity595
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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