Products for Research Use Only
RegisterLogin

KS 502

CAT: 0013-GTR19194100Size: 25 mgDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0013-GTR19194100Size:25 mg
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
Description
KS 502
CAS Number
120634-85-7
Smiles
C (OC1=CC (CCCCCCC) =C (C (O) =O) C (O) =C1) (=O) C2=C (O[C@@H]3O[C@@] ([C@@H] (CO) O) ([C@H] (O) [C@H]3O) [H]) C=C (O) C=C2CCCCCCC
Molecular Formula
C34H48O12
Molecular Weight
648.74
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

KS 502

KS-502 is a carbonyl compound.

CAS Number120634-85-7
PubChem CID129242
IUPAC Name4-[2-[(2S,3R,4R)-5-[(1R)-1,2-dihydroxyethyl]-3,4-dihydroxyoxolan-2-yl]oxy-6-heptyl-4-hydroxybenzoyl]oxy-2-heptyl-6-hydroxybenzoic acid
Molecular FormulaC34H48O12
Molecular Weight648.7
XLogP7.6
Topological Polar Surface Area203
Hydrogen Bond Donor Count7
Hydrogen Bond Acceptor Count12
Rotatable Bond Count20
Heavy Atom Count46
Formal Charge0
Complexity903
SMILES
CCCCCCCC1=C(C(=CC(=C1)O)O[C@H]2[C@@H]([C@H](C(O2)[C@@H](CO)O)O)O)C(=O)OC3=CC(=C(C(=C3)O)C(=O)O)CCCCCCC
InChI
InChI=1S/C34H48O12/c1-3-5-7-9-11-13-20-15-22(36)17-26(45-34-30(40)29(39)31(46-34)25(38)19-35)28(20)33(43)44-23-16-21(14-12-10-8-6-4-2)27(32(41)42)24(37)18-23/h15-18,25,29-31,34-40H,3-14,19H2,1-2H3,(H,41,42)/t25-,29-,30-,31?,34-/m1/s1
InChIKey
DXFBFWMLNIWYDA-CEXITYCRSA-N
Chemical Structure
2D Structure
2D structure of KS 502
CAS: 120634-85-7
CID: 129242
Formula: C34H48O12
MW: 648.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight648.7
XLogP37.6
Hydrogen Bond Donor Count7
Hydrogen Bond Acceptor Count12
Rotatable Bond Count20
Exact Mass648.31457696
Monoisotopic Mass648.31457696
Topological Polar Surface Area203 Ų
Heavy Atom Count46
Formal Charge0
Complexity903
Isotope Atom Count0
Defined Atom Stereocenter Count4
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Related Products

CatalogName
GTR19208376-01KS I
GTR19223424-01KS IV
GTR19069619-01KS-58
GTR19273746-01NIP 502
GTR19200524-01BTG 502
GTR19238432-01KS-133
GTR19194103KS 501
GTR19164171-01KS-176
GTR19221574-01NOSO-502
GTR19219909-01BMS-502

Alternative Products

CatalogName
TBI3024-25MGAc-Leu-Leu-Nle-CHO (ALLN), Calpain inhibitor
TBS10340-0.5MGInVivo Mouse IgG1 Isotype Control Antibody
TBS10338-0.5MGInVivo Anti-Mouse CD161/KLRB1/NK1.1 Antibody
TBS10336-1MGInVivoMAb Anti-Human Flt3 ligand/FLT3LG Antibody
TBS10334-0.5MGInVivo Anti-Human CDH17/Cadherin-17 Monoclonal Antibody
TBS10333-1MGInVivo Anti-Phosphotyrosine Monoclonal Antibody
TBS42064-100Clostridium butyricum qPCR Detection Kit
TBI5887-25MGRo 5-3335, RUNX1 inhibitor
TBI5778-5MGSBI-797812, NAMPT activator
TBI5468-25MGPyrintegrin, ß1-integrin agonist

Popular Products