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AS6

CAT: 0013-GTR19200846-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19200846-01Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
AS6 is a dose-dependent antagonist of the ABA-induced interaction between PYL receptors and PP2C phosphatases. This small molecule is a valuable research tool for studying ABA signaling pathways in both plant physiology and stress response research, applicable in vitro and in vivo.
CAS Number
1609660-14-1
Smiles
C (=C/C (=C\C (O) =O) /C) \[C@@]1 (O) C (C) =C (SCCCCCC) C (=O) CC1 (C) C
Molecular Formula
C21H32O4S
Molecular Weight
380.54
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

(2z,4e)-5-[(1s)-3-(Hexylsulfanyl)-1-Hydroxy-2,6,6-Trimethyl-4-Oxocyclohex-2-En-1-Yl]-3-Methylpenta-2,4-Dienoic Acid
CAS Number1609660-14-1
PubChem CID73437621
IUPAC Name(2Z,4E)-5-[(1S)-3-hexylsulfanyl-1-hydroxy-2,6,6-trimethyl-4-oxocyclohex-2-en-1-yl]-3-methylpenta-2,4-dienoic acid
Molecular FormulaC21H32O4S
Molecular Weight380.5
XLogP4.7
Topological Polar Surface Area99.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count9
Heavy Atom Count26
Formal Charge0
Complexity628
SMILES
CCCCCCSC1=C([C@@](C(CC1=O)(C)C)(/C=C/C(=C\C(=O)O)/C)O)C
InChI
InChI=1S/C21H32O4S/c1-6-7-8-9-12-26-19-16(3)21(25,20(4,5)14-17(19)22)11-10-15(2)13-18(23)24/h10-11,13,25H,6-9,12,14H2,1-5H3,(H,23,24)/b11-10+,15-13-/t21-/m1/s1
InChIKey
AOFXVHRNNSAVEA-IHZHKDPYSA-N
Chemical Structure
2D Structure
2D structure of (2z,4e)-5-[(1s)-3-(Hexylsulfanyl)-1-Hydroxy-2,6,6-Trimethyl-4-Oxocyclohex-2-En-1-Yl]-3-Methylpenta-2,4-Dienoic Acid
CAS: 1609660-14-1
CID: 73437621
Formula: C21H32O4S
MW: 380.5
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight380.5
XLogP34.7
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count9
Exact Mass380.20213067
Monoisotopic Mass380.20213067
Topological Polar Surface Area99.9 Ų
Heavy Atom Count26
Formal Charge0
Complexity628
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count2
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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