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(S)-CPW 399

CAT: 0572-TRC-C781478-10MGSize: 10 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-C781478-10MGSize:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
389888-02-2
Synonyms
(S)-CPW 399; (2S)-2-Amino-3-(2,4-dioxo-6,7-dihydro-5H-cyclopenta[d]pyrimidin-1-yl)propanoic Acid; (S)-2-Amino-3-(2,4-dioxo-2,3,4,5,6,7-hexahydro-1H-cyclopenta[d]pyrimidin-1-yl)propanoic Acid;
Hazard Statement
No Data Available
Smiles
N[C@@H](CN1C(=O)NC(=O)C2=C1CCC2)C(=O)O
Molecular Formula
C10H13N3O4
Molecular Weight
239.23
Shipping Conditions
Room Temperature
Storage Conditions
+4°C

Chemical Information

(S)-2-Amino-3-(1,3,5,7-Pentahydro-2,4-Dioxo-Cyclopenta(E)Pyrimidin-1-Yl) Proionic Acid
CAS Number389888-02-2
PubChem CID657004
IUPAC Name(2S)-2-amino-3-(2,4-dioxo-6,7-dihydro-5H-cyclopenta[d]pyrimidin-1-yl)propanoic acid
Molecular FormulaC10H13N3O4
Molecular Weight239.23
XLogP-3.7
Topological Polar Surface Area113
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count3
Heavy Atom Count17
Formal Charge0
Complexity429
SMILES
C1CC2=C(C1)N(C(=O)NC2=O)C[C@@H](C(=O)O)N
InChI
InChI=1S/C10H13N3O4/c11-6(9(15)16)4-13-7-3-1-2-5(7)8(14)12-10(13)17/h6H,1-4,11H2,(H,15,16)(H,12,14,17)/t6-/m0/s1
InChIKey
VSGUEKZRMJVQOH-LURJTMIESA-N
Chemical Structure
2D Structure
2D structure of (S)-2-Amino-3-(1,3,5,7-Pentahydro-2,4-Dioxo-Cyclopenta(E)Pyrimidin-1-Yl) Proionic Acid
CAS: 389888-02-2
CID: 657004
Formula: C10H13N3O4
MW: 239.23
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight239.23
XLogP3-3.7
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count3
Exact Mass239.09060590
Monoisotopic Mass239.09060590
Topological Polar Surface Area113 Ų
Heavy Atom Count17
Formal Charge0
Complexity429
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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