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Fmoc-Asu (OAll) -OH

CAT: 0926-FF159439-01Size: 1 gDry Ice: NoHazardous: No
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CAT#:0926-FF159439-01Size:1 g
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CAS Number
167368-90-3
MDL Number
MFCD31726228
Smiles
OC (=O) [C@H] (CCCCCC (=O) OCC=C) NC (=O) OCC1c2ccccc2c3ccccc13
Molecular Formula
C26H29NO4
Molecular Weight
419.51 g/mol
Controlled
No

Chemical Information

Fmoc-Asu(OAll)-OH
CAS Number167368-90-3
PubChem CID154705472
IUPAC Name(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-8-oxo-8-prop-2-enoxyoctanoic acid
Molecular FormulaC26H29NO6
Molecular Weight451.5
XLogP4.8
Topological Polar Surface Area102
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count14
Heavy Atom Count33
Formal Charge0
Complexity658
SMILES
C=CCOC(=O)CCCCC[C@@H](C(=O)O)NC(=O)OCC1C2=CC=CC=C2C3=CC=CC=C13
InChI
InChI=1S/C26H29NO6/c1-2-16-32-24(28)15-5-3-4-14-23(25(29)30)27-26(31)33-17-22-20-12-8-6-10-18(20)19-11-7-9-13-21(19)22/h2,6-13,22-23H,1,3-5,14-17H2,(H,27,31)(H,29,30)/t23-/m0/s1
InChIKey
GMISWTVAXZYGDF-QHCPKHFHSA-N
Chemical Structure
2D Structure
2D structure of Fmoc-Asu(OAll)-OH
CAS: 167368-90-3
CID: 154705472
Formula: C26H29NO6
MW: 451.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight451.5
XLogP34.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count14
Exact Mass451.19948764
Monoisotopic Mass451.19948764
Topological Polar Surface Area102 Ų
Heavy Atom Count33
Formal Charge0
Complexity658
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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