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EM 523

CAT: 0013-GTR19194579-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19194579-01Size:25 mg
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Description
EM 523 is a small molecule agent designed for gastrointestinal research. It is utilized in both in vitro and in vivo experimental models to study digestive system physiology and related disorders, as referenced in scientific literature.
CAS Number
110205-60-2
Smiles
O ([C@H]1[C@]2 (C) OC (=C (C) C2) [C@H] (C) [C@@H] (O) [C@] (C) (O) [C@@H] (CC) OC (=O) [C@H] (C) [C@@H] (O[C@H]3C[C@] (OC) (C) [C@@H] (O) [C@H] (C) O3) [C@@H]1C) [C@H]4[C@H] (O) [C@@H] (N (CC) C) C[C@@H] (C) O4
Molecular Formula
C38H67NO12
Molecular Weight
729.94
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

EM-523

structure given in first source

CAS Number110205-60-2
PubChem CID9831800
IUPAC Name(2R,3R,4S,5R,8R,9S,10S,11R,12R)-5-ethyl-11-[(2S,3R,4S,6R)-4-[ethyl(methyl)amino]-3-hydroxy-6-methyloxan-2-yl]oxy-3,4-dihydroxy-9-[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy-2,4,8,10,12,14-hexamethyl-6,15-dioxabicyclo[10.2.1]pentadec-1(14)-en-7-one
Molecular FormulaC38H67NO12
Molecular Weight729.9
XLogP3.7
Topological Polar Surface Area166
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count13
Rotatable Bond Count8
Heavy Atom Count51
Formal Charge0
Complexity1240
SMILES
CC[C@@H]1[C@@]([C@@H]([C@H](C2=C(C[C@@](O2)([C@@H]([C@H]([C@@H]([C@H](C(=O)O1)C)O[C@H]3C[C@@]([C@H]([C@@H](O3)C)O)(C)OC)C)O[C@H]4[C@@H]([C@H](C[C@H](O4)C)N(C)CC)O)C)C)C)O)(C)O
InChI
InChI=1S/C38H67NO12/c1-14-26-38(11,44)31(41)21(5)29-19(3)17-37(10,51-29)33(50-35-28(40)25(39(12)15-2)16-20(4)46-35)22(6)30(23(7)34(43)48-26)49-27-18-36(9,45-13)32(42)24(8)47-27/h20-28,30-33,35,40-42,44H,14-18H2,1-13H3/t20-,21+,22+,23-,24+,25+,26-,27+,28-,30+,31-,32+,33-,35+,36-,37-,38-/m1/s1
InChIKey
UTTLXGDLSXWDJI-QZCZOBQCSA-N
Chemical Structure
2D Structure
2D structure of EM-523
CAS: 110205-60-2
CID: 9831800
Formula: C38H67NO12
MW: 729.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight729.9
XLogP33.7
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count13
Rotatable Bond Count8
Exact Mass729.46632657
Monoisotopic Mass729.46632657
Topological Polar Surface Area166 Ų
Heavy Atom Count51
Formal Charge0
Complexity1240
Isotope Atom Count0
Defined Atom Stereocenter Count17
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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