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Boc-D-Dab (Fmoc) -OH

CAT: 0121-4027507.0005Size: 5 gDry Ice: NoHazardous: No
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CAT#:0121-4027507.0005Size:5 g
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CAS Number
131570-57-5
Specifications
A-4230.0005
Sequence
Boc-D-Dab (Fmoc) -OH
Molecular Formula
C₂₄H₂₈N₂O₆
Molecular Weight
440.50
Shipping Conditions
Ambient Temperature
Storage Temperature
+5 ± 3 °C

Chemical Information

(2R)-2-{[(tert-butoxy)carbonyl]amino}-4-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)butanoic acid
CAS Number131570-57-5
PubChem CID17040123
IUPAC Name(2R)-4-(9H-fluoren-9-ylmethoxycarbonylamino)-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid
Molecular FormulaC24H28N2O6
Molecular Weight440.5
XLogP3.7
Topological Polar Surface Area114
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count10
Heavy Atom Count32
Formal Charge0
Complexity654
SMILES
CC(C)(C)OC(=O)N[C@H](CCNC(=O)OCC1C2=CC=CC=C2C3=CC=CC=C13)C(=O)O
InChI
InChI=1S/C24H28N2O6/c1-24(2,3)32-23(30)26-20(21(27)28)12-13-25-22(29)31-14-19-17-10-6-4-8-15(17)16-9-5-7-11-18(16)19/h4-11,19-20H,12-14H2,1-3H3,(H,25,29)(H,26,30)(H,27,28)/t20-/m1/s1
InChIKey
MJZDTTZGQUEOBL-HXUWFJFHSA-N
Chemical Structure
2D Structure
2D structure of (2R)-2-{[(tert-butoxy)carbonyl]amino}-4-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)butanoic acid
CAS: 131570-57-5
CID: 17040123
Formula: C24H28N2O6
MW: 440.5
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight440.5
XLogP33.7
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count10
Exact Mass440.19473662
Monoisotopic Mass440.19473662
Topological Polar Surface Area114 Ų
Heavy Atom Count32
Formal Charge0
Complexity654
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