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ABL-L

CAT: 0013-GTR19185365-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19185365-01Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
ABL-L
CAS Number
1613152-39-8
Field of Research
Cell Biology
Smiles
O (C (CCCCCCCCCCC) =O) [C@H]1[C@]2 ([C@@] (CC (C) =C1[C@H] (CCCOC (C) =O) C) (OC (=O) C2=C) [H]) [H]
Molecular Formula
C29H46O6
Molecular Weight
490.67
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

CID 86288974
CAS Number1613152-39-8
PubChem CID86288974
IUPAC Name[(3aR,4S,7aR)-5-[(2S)-5-acetyloxypentan-2-yl]-6-methyl-3-methylidene-2-oxo-3a,4,7,7a-tetrahydro-1-benzofuran-4-yl] dodecanoate
Molecular FormulaC29H46O6
Molecular Weight490.7
XLogP7
Topological Polar Surface Area78.9
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count6
Rotatable Bond Count18
Heavy Atom Count35
Formal Charge0
Complexity767
SMILES
CCCCCCCCCCCC(=O)O[C@H]1[C@H]2[C@@H](CC(=C1[C@@H](C)CCCOC(=O)C)C)OC(=O)C2=C
InChI
InChI=1S/C29H46O6/c1-6-7-8-9-10-11-12-13-14-17-25(31)35-28-26(20(2)16-15-18-33-23(5)30)21(3)19-24-27(28)22(4)29(32)34-24/h20,24,27-28H,4,6-19H2,1-3,5H3/t20-,24+,27+,28+/m0/s1
InChIKey
XQHYGHMNUOFAQI-BZPPDAAYSA-N
Chemical Structure
2D Structure
2D structure of CID 86288974
CAS: 1613152-39-8
CID: 86288974
Formula: C29H46O6
MW: 490.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight490.7
XLogP37
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count6
Rotatable Bond Count18
Exact Mass490.32943918
Monoisotopic Mass490.32943918
Topological Polar Surface Area78.9 Ų
Heavy Atom Count35
Formal Charge0
Complexity767
Isotope Atom Count0
Defined Atom Stereocenter Count4
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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CatalogName
HY-142913ABL-L
397752-01Abl
MBS6405083-01ABL1 (ABL1, ABL, JTK7, bcr/abl, c-ABL, p150, v-abl) (HRP)
209334-01ABL1 (ABL1, ABL, JTK7, bcr/abl, c-ABL, p150, v-abl) discontinued
MBS6405080-01ABL1 (ABL1, ABL, JTK7, bcr/abl, c-ABL, p150, v-abl) (APC)
MBS6405079-01ABL1 (ABL1, ABL, JTK7, bcr/abl, c-ABL, p150, v-abl) (AP)
MBS6405089-01ABL1 (ABL1, ABL, JTK7, bcr/abl, c-ABL, p150, v-abl) (PE)
MBS6405082-01ABL1 (ABL1, ABL, JTK7, bcr/abl, c-ABL, p150, v-abl) (FITC)
MBS6405081-01ABL1 (ABL1, ABL, JTK7, bcr/abl, c-ABL, p150, v-abl) (Biotin)
MBS6405104-01ABL1, Phosphorylated (Y245) (ABL, JTK7, p150, c-ABL, v-abl, bcr/abl) (FITC)

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