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PGAM1-IN-2

CAT: 0607-BA8129-10Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0607-BA8129-10Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2438637-66-0
Form
A solid
Molecular Formula
C25H16N2O7S
Molecular Weight
488.47
Shipping Conditions
Blue ice
Storage Conditions
-20°C.

Chemical Information

Pgam1-IN-2
CAS Number2438637-66-0
PubChem CID138454805
IUPAC NameN-(1-hydroxy-7-nitro-9-oxoxanthen-3-yl)-4-phenylbenzenesulfonamide
Molecular FormulaC25H16N2O7S
Molecular Weight488.5
XLogP5.1
Topological Polar Surface Area147
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count8
Rotatable Bond Count4
Heavy Atom Count35
Formal Charge0
Complexity886
SMILES
C1=CC=C(C=C1)C2=CC=C(C=C2)S(=O)(=O)NC3=CC(=C4C(=C3)OC5=C(C4=O)C=C(C=C5)[N+](=O)[O-])O
InChI
InChI=1S/C25H16N2O7S/c28-21-12-17(13-23-24(21)25(29)20-14-18(27(30)31)8-11-22(20)34-23)26-35(32,33)19-9-6-16(7-10-19)15-4-2-1-3-5-15/h1-14,26,28H
InChIKey
BRBFEAYMCMDULD-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Pgam1-IN-2
CAS: 2438637-66-0
CID: 138454805
Formula: C25H16N2O7S
MW: 488.5
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight488.5
XLogP35.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count8
Rotatable Bond Count4
Exact Mass488.06782203
Monoisotopic Mass488.06782203
Topological Polar Surface Area147 Ų
Heavy Atom Count35
Formal Charge0
Complexity886
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes