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Gln-AMS

CAT: 0013-GTR19205782-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19205782-01Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
Gln-AMS
CAS Number
209543-57-7
Field of Research
Infectious Disease & Virology
Smiles
O[C@H]1[C@H] (N2C=3C (N=C2) =C (N) N=CN3) O[C@H] (COS (NC ([C@H] (CCC (N) =O) N) =O) (=O) =O) [C@H]1O
Molecular Formula
C15H22N8O8S
Molecular Weight
474.45
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

5'-o-[n-(l-Glutaminyl)-sulfamoyl]adenosine
CAS Number209543-57-7
PubChem CID445432
IUPAC Name[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl N-[(2S)-2,5-diamino-5-oxopentanoyl]sulfamate
Molecular FormulaC15H22N8O8S
Molecular Weight474.5
XLogP-4.5
Topological Polar Surface Area269
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count13
Rotatable Bond Count9
Heavy Atom Count32
Formal Charge0
Complexity797
SMILES
C1=NC(=C2C(=N1)N(C=N2)[C@H]3[C@@H]([C@@H]([C@H](O3)COS(=O)(=O)NC(=O)[C@H](CCC(=O)N)N)O)O)N
InChI
InChI=1S/C15H22N8O8S/c16-6(1-2-8(17)24)14(27)22-32(28,29)30-3-7-10(25)11(26)15(31-7)23-5-21-9-12(18)19-4-20-13(9)23/h4-7,10-11,15,25-26H,1-3,16H2,(H2,17,24)(H,22,27)(H2,18,19,20)/t6-,7+,10+,11+,15+/m0/s1
InChIKey
KXWKSWRGZLZHEF-WERHYGNASA-N
Chemical Structure
2D Structure
2D structure of 5'-o-[n-(l-Glutaminyl)-sulfamoyl]adenosine
CAS: 209543-57-7
CID: 445432
Formula: C15H22N8O8S
MW: 474.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight474.5
XLogP3-4.5
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count13
Rotatable Bond Count9
Exact Mass474.12813086
Monoisotopic Mass474.12813086
Topological Polar Surface Area269 Ų
Heavy Atom Count32
Formal Charge0
Complexity797
Isotope Atom Count0
Defined Atom Stereocenter Count5
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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