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SPD-2

CAT: 0931-T34690Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0931-T34690Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1643781-40-1
Target
Others, Endogenous Metabolite
Related Pathways
Metabolism, Others
Bioactivity
SPD-2 is a photocontrolled hydrogen sulfide donor for living cells.
Smiles
O=C(O)C(C1=CC=C2OC=3C=CC=CC3C(=O)C2=C1)(C)CSCC(C(=O)O)(C4=CC=C5OC=6C=CC=CC6C(=O)C5=C4)C
Molecular Formula
C34H26O8S
Molecular Weight
594.63
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

3-[2-Carboxy-2-(9-oxoxanthen-2-yl)propyl]sulfanyl-2-methyl-2-(9-oxoxanthen-2-yl)propanoic acid
CAS Number1643781-40-1
PubChem CID118721533
IUPAC Name3-[2-carboxy-2-(9-oxoxanthen-2-yl)propyl]sulfanyl-2-methyl-2-(9-oxoxanthen-2-yl)propanoic acid
Molecular FormulaC34H26O8S
Molecular Weight594.6
XLogP6.1
Topological Polar Surface Area153
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count9
Rotatable Bond Count8
Heavy Atom Count43
Formal Charge0
Complexity1030
SMILES
CC(CSCC(C)(C1=CC2=C(C=C1)OC3=CC=CC=C3C2=O)C(=O)O)(C4=CC5=C(C=C4)OC6=CC=CC=C6C5=O)C(=O)O
InChI
InChI=1S/C34H26O8S/c1-33(31(37)38,19-11-13-27-23(15-19)29(35)21-7-3-5-9-25(21)41-27)17-43-18-34(2,32(39)40)20-12-14-28-24(16-20)30(36)22-8-4-6-10-26(22)42-28/h3-16H,17-18H2,1-2H3,(H,37,38)(H,39,40)
InChIKey
HLYJZNLEINAZNN-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3-[2-Carboxy-2-(9-oxoxanthen-2-yl)propyl]sulfanyl-2-methyl-2-(9-oxoxanthen-2-yl)propanoic acid
CAS: 1643781-40-1
CID: 118721533
Formula: C34H26O8S
MW: 594.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight594.6
XLogP36.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count9
Rotatable Bond Count8
Exact Mass594.13483896
Monoisotopic Mass594.13483896
Topological Polar Surface Area153 Ų
Heavy Atom Count43
Formal Charge0
Complexity1030
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count2
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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