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Fmoc-D-Dab (Fmoc) -OH

CAT: 0127-OR1052007-01Size: 250 mgDry Ice: NoHazardous: No
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CAT#:0127-OR1052007-01Size:250 mg
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CAS Number
1217645-10-7
MDL Number
MFCD02094099
Purity
95%
Smiles
O=C(O)[C@H](NC(OCC1C2=C(C3=C1C=CC=C3)C=CC=C2)=O)CCNC(OCC4C5=C(C6=C4C=CC=C6)C=CC=C5)=O

Chemical Information

Fmoc-D-Dab(Fmoc)-OH
CAS Number1217645-10-7
PubChem CID46737278
IUPAC Name(2R)-2,4-bis(9H-fluoren-9-ylmethoxycarbonylamino)butanoic acid
Molecular FormulaC34H30N2O6
Molecular Weight562.6
XLogP5.9
Topological Polar Surface Area114
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count11
Heavy Atom Count42
Formal Charge0
Complexity914
SMILES
C1=CC=C2C(=C1)C(C3=CC=CC=C32)COC(=O)NCC[C@H](C(=O)O)NC(=O)OCC4C5=CC=CC=C5C6=CC=CC=C46
InChI
InChI=1S/C34H30N2O6/c37-32(38)31(36-34(40)42-20-30-27-15-7-3-11-23(27)24-12-4-8-16-28(24)30)17-18-35-33(39)41-19-29-25-13-5-1-9-21(25)22-10-2-6-14-26(22)29/h1-16,29-31H,17-20H2,(H,35,39)(H,36,40)(H,37,38)/t31-/m1/s1
InChIKey
ALZDIZDLDRWFAC-WJOKGBTCSA-N
Chemical Structure
2D Structure
2D structure of Fmoc-D-Dab(Fmoc)-OH
CAS: 1217645-10-7
CID: 46737278
Formula: C34H30N2O6
MW: 562.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight562.6
XLogP35.9
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count11
Exact Mass562.21038668
Monoisotopic Mass562.21038668
Topological Polar Surface Area114 Ų
Heavy Atom Count42
Formal Charge0
Complexity914
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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