Products for Research Use Only
RegisterLogin

DM1-Sme 5mg

CAT: 0628-A15960-5Size: 5 mgDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0628-A15960-5Size:5 mg
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
CAS Number
138148-68-2

Chemical Information

[(1S,2R,3S,5S,6S,16Z,18Z,20R,21S)-11-chloro-21-hydroxy-12,20-dimethoxy-2,5,9,16-tetramethyl-8,23-dioxo-4,24-dioxa-9,22-diazatetracyclo[19.3.1.110,14.03,5]hexacosa-10,12,14(26),16,18-pentaen-6-yl] (2S)-2-[methyl-[3-(methyldisulfanyl)propanoyl]amino]propanoate
CAS Number138148-68-2
PubChem CID131873213
IUPAC Name[(1S,2R,3S,5S,6S,16Z,18Z,20R,21S)-11-chloro-21-hydroxy-12,20-dimethoxy-2,5,9,16-tetramethyl-8,23-dioxo-4,24-dioxa-9,22-diazatetracyclo[19.3.1.110,14.03,5]hexacosa-10,12,14(26),16,18-pentaen-6-yl] (2S)-2-[methyl-[3-(methyldisulfanyl)propanoyl]amino]propanoate
Molecular FormulaC36H50ClN3O10S2
Molecular Weight784.4
XLogP2.6
Topological Polar Surface Area207
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count12
Rotatable Bond Count10
Heavy Atom Count52
Formal Charge0
Complexity1370
SMILES
C[C@@H]1[C@@H]2C[C@]([C@@H](/C=C\C=C(/CC3=CC(=C(C(=C3)OC)Cl)N(C(=O)C[C@@H]([C@]4([C@H]1O4)C)OC(=O)[C@H](C)N(C)C(=O)CCSSC)C)\C)OC)(NC(=O)O2)O
InChI
InChI=1S/C36H50ClN3O10S2/c1-20-11-10-12-27(47-8)36(45)19-26(48-34(44)38-36)21(2)32-35(4,50-32)28(49-33(43)22(3)39(5)29(41)13-14-52-51-9)18-30(42)40(6)24-16-23(15-20)17-25(46-7)31(24)37/h10-12,16-17,21-22,26-28,32,45H,13-15,18-19H2,1-9H3,(H,38,44)/b12-10-,20-11-/t21-,22+,26+,27-,28+,32+,35+,36+/m1/s1
InChIKey
ZLUUPZXOPGORNG-UDXCHANISA-N
Chemical Structure
2D Structure
2D structure of [(1S,2R,3S,5S,6S,16Z,18Z,20R,21S)-11-chloro-21-hydroxy-12,20-dimethoxy-2,5,9,16-tetramethyl-8,23-dioxo-4,24-dioxa-9,22-diazatetracyclo[19.3.1.110,14.03,5]hexacosa-10,12,14(26),16,18-pentaen-6-yl] (2S)-2-[methyl-[3-(methyldisulfanyl)propanoyl]amino]propanoate
CAS: 138148-68-2
CID: 131873213
Formula: C36H50ClN3O10S2
MW: 784.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight784.4
XLogP32.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count12
Rotatable Bond Count10
Exact Mass783.2626148
Monoisotopic Mass783.2626148
Topological Polar Surface Area207 Ų
Heavy Atom Count52
Formal Charge0
Complexity1370
Isotope Atom Count0
Defined Atom Stereocenter Count8
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count2
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Related Products

CatalogName
A15960-100DM1-Sme 100mg
A15960-25DM1-Sme 25mg
A15960-1DM1-Sme 1mg
A15960-50DM1-Sme 50mg
A15960-10DM1-Sme 10mg
A15960-10mM-DDM1-Sme 10mM * 1mL in DMSO
A15955-5DM1-SMCC 5mg
A19197-5Lys-SMCC-DM1 5mg
A13253-5SMER-3 5mg
A15955-100DM1-SMCC 100mg

Alternative Products

CatalogName
BA2343-50DM1-SMe
HY-100128RDM1-SMe (Standard)
WGB07370-01DM3-SMe
WGB07368-01DM4-SMe
GTR17970734SmE Antibody
BLG-M0436-SMe-PuR

Popular Products