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ACO Ser CNU

CAT: 0013-GTR19195937-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19195937-02Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
ACO Ser CNU is a small molecule compound utilized as a therapeutic agent in research. It is applied in biochemical studies for investigating cellular mechanisms and has been referenced in both in vitro assays and in vivo experimental models within oncology research.
CAS Number
84993-78-2
Smiles
[C@H] (NC (N (CCCl) N=O) =O) (COC (C) =O) C (OC) =O
Molecular Formula
C9H14ClN3O6
Molecular Weight
295.68
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Serine, N-((2-chloroethyl)nitrosocarbamoyl)-, methyl ester, acetate (ester), L-
CAS Number84993-78-2
PubChem CID3069648
IUPAC Namemethyl (2S)-3-acetyloxy-2-[[2-chloroethyl(nitroso)carbamoyl]amino]propanoate
Molecular FormulaC9H14ClN3O6
Molecular Weight295.68
XLogP0.2
Topological Polar Surface Area114
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count8
Heavy Atom Count19
Formal Charge0
Complexity351
SMILES
CC(=O)OC[C@@H](C(=O)OC)NC(=O)N(CCCl)N=O
InChI
InChI=1S/C9H14ClN3O6/c1-6(14)19-5-7(8(15)18-2)11-9(16)13(12-17)4-3-10/h7H,3-5H2,1-2H3,(H,11,16)/t7-/m0/s1
InChIKey
OTAJCYVSDYZZHG-ZETCQYMHSA-N
Chemical Structure
2D Structure
2D structure of Serine, N-((2-chloroethyl)nitrosocarbamoyl)-, methyl ester, acetate (ester), L-
CAS: 84993-78-2
CID: 3069648
Formula: C9H14ClN3O6
MW: 295.68
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight295.68
XLogP30.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count8
Exact Mass295.0571129
Monoisotopic Mass295.0571129
Topological Polar Surface Area114 Ų
Heavy Atom Count19
Formal Charge0
Complexity351
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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