Products for Research Use Only

Fmoc-D-Dab (Dde) -OH

CAT: 0024-sc-294797Size: 1 gDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0024-sc-294797Size:1 g
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
CAS Number
596797-14-7

Chemical Information

(R)-2-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)-4-((1-(4,4-dimethyl-2,6-dioxocyclohexylidene)ethyl)amino)butanoic acid
CAS Number596797-14-7
PubChem CID135742631
IUPAC Name(2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-4-[1-(2-hydroxy-4,4-dimethyl-6-oxocyclohexen-1-yl)ethylideneamino]butanoic acid
Molecular FormulaC29H32N2O6
Molecular Weight504.6
XLogP3.9
Topological Polar Surface Area125
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count7
Rotatable Bond Count9
Heavy Atom Count37
Formal Charge0
Complexity932
SMILES
CC(=NCC[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/C29H32N2O6/c1-17(26-24(32)14-29(2,3)15-25(26)33)30-13-12-23(27(34)35)31-28(36)37-16-22-20-10-6-4-8-18(20)19-9-5-7-11-21(19)22/h4-11,22-23,32H,12-16H2,1-3H3,(H,31,36)(H,34,35)/t23-/m1/s1
InChIKey
AFBHGOUICAXOQZ-HSZRJFAPSA-N
Chemical Structure
2D Structure
2D structure of (R)-2-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)-4-((1-(4,4-dimethyl-2,6-dioxocyclohexylidene)ethyl)amino)butanoic acid
CAS: 596797-14-7
CID: 135742631
Formula: C29H32N2O6
MW: 504.6
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight504.6
XLogP33.9
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count7
Rotatable Bond Count9
Exact Mass504.22603674
Monoisotopic Mass504.22603674
Topological Polar Surface Area125 Ų
Heavy Atom Count37
Formal Charge0
Complexity932
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