Products for Research Use Only
RegisterLogin

YS 822A

CAT: 0013-GTR19192232Size: 25 mgDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0013-GTR19192232Size:25 mg
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
Description
YS 822A is a small molecule biochemical compound utilized in research. It is applied in both in vitro and in vivo studies to investigate cellular pathways and disease mechanisms within fields such as cancer biology and signal transduction.
CAS Number
130767-46-3
Smiles
CC (C) C1CCCC=CC=CC=CC=CC (CC2OC (O) (CC (O) C2C (O) =O) CC (O) CC (O) C (O) CCC (=O) O1) OC1OC (C) C (O) C (N) C1O
Molecular Formula
C37H59NO14
Molecular Weight
741.86
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

YS 822A

structure given in first source; isolated from Streptoverticillum eurocidicum

CAS Number130767-46-3
PubChem CID6440840
IUPAC Name(15Z,17E,19E,21E)-23-[(2R,3S,4S,5S,6R)-4-amino-3,5-dihydroxy-6-methyloxan-2-yl]oxy-1,3,5,6,27-pentahydroxy-9-oxo-11-propan-2-yl-10,29-dioxabicyclo[23.3.1]nonacosa-15,17,19,21-tetraene-26-carboxylic acid
Molecular FormulaC37H59NO14
Molecular Weight741.9
XLogP-0.7
Topological Polar Surface Area259
Hydrogen Bond Donor Count9
Hydrogen Bond Acceptor Count15
Rotatable Bond Count4
Heavy Atom Count52
Formal Charge0
Complexity1240
SMILES
C[C@@H]1[C@H]([C@@H]([C@@H]([C@@H](O1)OC/2CC3C(C(CC(O3)(CC(CC(C(CCC(=O)OC(CCC/C=C\C=C\C=C\C=C2)C(C)C)O)O)O)O)O)C(=O)O)O)N)O
InChI
InChI=1S/C37H59NO14/c1-21(2)28-14-12-10-8-6-4-5-7-9-11-13-24(50-36-34(45)32(38)33(44)22(3)49-36)18-29-31(35(46)47)27(42)20-37(48,52-29)19-23(39)17-26(41)25(40)15-16-30(43)51-28/h4-9,11,13,21-29,31-34,36,39-42,44-45,48H,10,12,14-20,38H2,1-3H3,(H,46,47)/b5-4+,8-6-,9-7+,13-11+/t22-,23?,24?,25?,26?,27?,28?,29?,31?,32+,33-,34+,36+,37?/m1/s1
InChIKey
HCAJMOSNTHQEGE-HEVHWGFOSA-N
Chemical Structure
2D Structure
2D structure of YS 822A
CAS: 130767-46-3
CID: 6440840
Formula: C37H59NO14
MW: 741.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight741.9
XLogP3-0.7
Hydrogen Bond Donor Count9
Hydrogen Bond Acceptor Count15
Rotatable Bond Count4
Exact Mass741.39355556
Monoisotopic Mass741.39355556
Topological Polar Surface Area259 Ų
Heavy Atom Count52
Formal Charge0
Complexity1240
Isotope Atom Count0
Defined Atom Stereocenter Count5
Undefined Atom Stereocenter Count9
Defined Bond Stereocenter Count4
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Related Products

CatalogName
GTR19192239YS 3025
GTR19192236YS 3643
GTR19175615-01YS-49
GTR19202910-01YS-201
GTR19202368-01YS-121
GTR19192234YS 3646
GTR19192233YS 51
GTR19219164-01YS-363
GTR19192238YS 3621
GTR19192237YS 3634

Alternative Products

CatalogName
MBS5784770YS 822A

Popular Products