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Alpha-Glutamylthymine

CAT: 0013-GTR19195700-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19195700-01Size:25 mg
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Description
Alpha-Glutamylthymine
CAS Number
76567-27-6
Smiles
C (N[C@@H] (CCC (O) =O) C (O) =O) C=1C (=O) NC (=O) NC1
Molecular Formula
C10H13N3O6
Molecular Weight
271.23
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

alpha-Glutamylthymine

structure given in first source

CAS Number76567-27-6
PubChem CID196474
IUPAC Name(2S)-2-[(2,4-dioxo-1H-pyrimidin-5-yl)methylamino]pentanedioic acid
Molecular FormulaC10H13N3O6
Molecular Weight271.23
XLogP-3.8
Topological Polar Surface Area145
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count7
Rotatable Bond Count7
Heavy Atom Count19
Formal Charge0
Complexity445
SMILES
C1=C(C(=O)NC(=O)N1)CN[C@@H](CCC(=O)O)C(=O)O
InChI
InChI=1S/C10H13N3O6/c14-7(15)2-1-6(9(17)18)11-3-5-4-12-10(19)13-8(5)16/h4,6,11H,1-3H2,(H,14,15)(H,17,18)(H2,12,13,16,19)/t6-/m0/s1
InChIKey
XHGJNVZDOQDSDY-LURJTMIESA-N
Chemical Structure
2D Structure
2D structure of alpha-Glutamylthymine
CAS: 76567-27-6
CID: 196474
Formula: C10H13N3O6
MW: 271.23
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight271.23
XLogP3-3.8
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count7
Rotatable Bond Count7
Exact Mass271.08043514
Monoisotopic Mass271.08043514
Topological Polar Surface Area145 Ų
Heavy Atom Count19
Formal Charge0
Complexity445
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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