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Fmoc-D-Orn (Dde) -OH

CAT: 0127-OR1032102-01Size: 250 mgDry Ice: NoHazardous: No
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CAT#:0127-OR1032102-01Size:250 mg
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CAS Number
1419640-31-5
Purity
98%
Smiles
C/C(NCCC[C@H](C(O)=O)NC(OCC1C2=CC=CC=C2C3=CC=CC=C31)=O)=C4C(CC(C)(CC/4=O)C)=O

Chemical Information

Fmoc-D-Orn(Dde)-OH
CAS Number1419640-31-5
PubChem CID135742629
IUPAC Name(2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-5-[1-(2-hydroxy-4,4-dimethyl-6-oxocyclohexen-1-yl)ethylideneamino]pentanoic acid
Molecular FormulaC30H34N2O6
Molecular Weight518.6
XLogP4.3
Topological Polar Surface Area125
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count7
Rotatable Bond Count10
Heavy Atom Count38
Formal Charge0
Complexity948
SMILES
CC(=NCCC[C@H](C(=O)O)NC(=O)OCC1C2=CC=CC=C2C3=CC=CC=C13)C4=C(CC(CC4=O)(C)C)O
InChI
InChI=1S/C30H34N2O6/c1-18(27-25(33)15-30(2,3)16-26(27)34)31-14-8-13-24(28(35)36)32-29(37)38-17-23-21-11-6-4-9-19(21)20-10-5-7-12-22(20)23/h4-7,9-12,23-24,33H,8,13-17H2,1-3H3,(H,32,37)(H,35,36)/t24-/m1/s1
InChIKey
HJKFYXWSCAFRFO-XMMPIXPASA-N
Chemical Structure
2D Structure
2D structure of Fmoc-D-Orn(Dde)-OH
CAS: 1419640-31-5
CID: 135742629
Formula: C30H34N2O6
MW: 518.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight518.6
XLogP34.3
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count7
Rotatable Bond Count10
Exact Mass518.24168681
Monoisotopic Mass518.24168681
Topological Polar Surface Area125 Ų
Heavy Atom Count38
Formal Charge0
Complexity948
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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