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ATG7-IN-2

CAT: 0607-BA3574-1Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0607-BA3574-1Size:1 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2226227-75-2
Form
A solid
Molecular Formula
C11H16N6O7S
Molecular Weight
376.35
Shipping Conditions
Blue ice
Storage Conditions
-20°C.

Chemical Information

Atg7-IN-2
CAS Number2226227-75-2
PubChem CID134501092
IUPAC Name[(2R,3S,4R,5R)-5-(4-amino-3-methoxypyrazolo[3,4-d]pyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl sulfamate
Molecular FormulaC11H16N6O7S
Molecular Weight376.35
XLogP-2.6
Topological Polar Surface Area206
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count12
Rotatable Bond Count5
Heavy Atom Count25
Formal Charge0
Complexity576
SMILES
COC1=NN(C2=NC=NC(=C21)N)[C@H]3[C@@H]([C@@H]([C@H](O3)COS(=O)(=O)N)O)O
InChI
InChI=1S/C11H16N6O7S/c1-22-10-5-8(12)14-3-15-9(5)17(16-10)11-7(19)6(18)4(24-11)2-23-25(13,20)21/h3-4,6-7,11,18-19H,2H2,1H3,(H2,12,14,15)(H2,13,20,21)/t4-,6-,7-,11-/m1/s1
InChIKey
SVHOPJCSYNTLAH-RPKMEZRRSA-N
Chemical Structure
2D Structure
2D structure of Atg7-IN-2
CAS: 2226227-75-2
CID: 134501092
Formula: C11H16N6O7S
MW: 376.35
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight376.35
XLogP3-2.6
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count12
Rotatable Bond Count5
Exact Mass376.08011804
Monoisotopic Mass376.08011804
Topological Polar Surface Area206 Ų
Heavy Atom Count25
Formal Charge0
Complexity576
Isotope Atom Count0
Defined Atom Stereocenter Count4
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes