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Sephadex® G-50 Fine

CAT: 0024-sc-255033BSize: 500 gDry Ice: NoHazardous: No
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CAT#:0024-sc-255033BSize:500 g
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
9048-71-9

Chemical Information

3-(6-tert-butyl-1,3-benzothiazol-2-yl)-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid
CAS Number9048-71-9
PubChem CID135350673
IUPAC Name3-(6-tert-butyl-1,3-benzothiazol-2-yl)-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid
Molecular FormulaC29H28N2O4S
Molecular Weight500.6
XLogP6.8
Topological Polar Surface Area117
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count8
Heavy Atom Count36
Formal Charge0
Complexity779
SMILES
CC(C)(C)C1=CC2=C(C=C1)N=C(S2)CC(C(=O)O)NC(=O)OCC3C4=CC=CC=C4C5=CC=CC=C35
InChI
InChI=1S/C29H28N2O4S/c1-29(2,3)17-12-13-23-25(14-17)36-26(30-23)15-24(27(32)33)31-28(34)35-16-22-20-10-6-4-8-18(20)19-9-5-7-11-21(19)22/h4-14,22,24H,15-16H2,1-3H3,(H,31,34)(H,32,33)
InChIKey
HPAPUVLGQATAGV-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3-(6-tert-butyl-1,3-benzothiazol-2-yl)-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid
CAS: 9048-71-9
CID: 135350673
Formula: C29H28N2O4S
MW: 500.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight500.6
XLogP36.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count8
Exact Mass500.17697855
Monoisotopic Mass500.17697855
Topological Polar Surface Area117 Ų
Heavy Atom Count36
Formal Charge0
Complexity779
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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