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Fmoc-Thr-Obzl

CAT: 0127-OR1035472-01Size: 1 gDry Ice: NoHazardous: No
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CAT#:0127-OR1035472-01Size:1 g
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
73724-48-8
Purity
98%
Smiles
C[C@@H](O)[C@H](NC(OCC1C2=CC=CC=C2C3=CC=CC=C31)=O)C(OCC4=CC=CC=C4)=O

Chemical Information

(2S,3R)-Benzyl 2-((((9H-fluoren-9-yl)methoxy)carbonyl)amino)-3-hydroxybutanoate
CAS Number73724-48-8
PubChem CID10950076
IUPAC Namebenzyl (2S,3R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-hydroxybutanoate
Molecular FormulaC26H25NO5
Molecular Weight431.5
XLogP4.3
Topological Polar Surface Area84.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count9
Heavy Atom Count32
Formal Charge0
Complexity612
SMILES
C[C@H]([C@@H](C(=O)OCC1=CC=CC=C1)NC(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24)O
InChI
InChI=1S/C26H25NO5/c1-17(28)24(25(29)31-15-18-9-3-2-4-10-18)27-26(30)32-16-23-21-13-7-5-11-19(21)20-12-6-8-14-22(20)23/h2-14,17,23-24,28H,15-16H2,1H3,(H,27,30)/t17-,24+/m1/s1
InChIKey
WQYIETDVEJEHCP-OSPHWJPCSA-N
Chemical Structure
2D Structure
2D structure of (2S,3R)-Benzyl 2-((((9H-fluoren-9-yl)methoxy)carbonyl)amino)-3-hydroxybutanoate
CAS: 73724-48-8
CID: 10950076
Formula: C26H25NO5
MW: 431.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight431.5
XLogP34.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count9
Exact Mass431.17327290
Monoisotopic Mass431.17327290
Topological Polar Surface Area84.9 Ų
Heavy Atom Count32
Formal Charge0
Complexity612
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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