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AH10639 phosphate 25mg

CAT: 0628-A22482-25Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0628-A22482-25Size:25 mg
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CAS Number
84176-65-8

Chemical Information

6,7-Diisopropylpteridine-2,4-diamine phosphate
CAS Number84176-65-8
PubChem CID264001
IUPAC Name6,7-di(propan-2-yl)pteridine-2,4-diamine;phosphoric acid
Molecular FormulaC12H21N6O4P
Molecular Weight344.31
Topological Polar Surface Area181
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count10
Rotatable Bond Count2
Heavy Atom Count23
Formal Charge0
Complexity332
SMILES
CC(C)C1=NC2=C(N=C(N=C2N=C1C(C)C)N)N.OP(=O)(O)O
InChI
InChI=1S/C12H18N6.H3O4P/c1-5(2)7-8(6(3)4)16-11-9(15-7)10(13)17-12(14)18-11;1-5(2,3)4/h5-6H,1-4H3,(H4,13,14,16,17,18);(H3,1,2,3,4)
InChIKey
YNQBQYASRYRNRY-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 6,7-Diisopropylpteridine-2,4-diamine phosphate
CAS: 84176-65-8
CID: 264001
Formula: C12H21N6O4P
MW: 344.31
Interactive 3D Structure
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Computed Properties
PropertyValue
Molecular Weight344.31
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count10
Rotatable Bond Count2
Exact Mass344.13619017
Monoisotopic Mass344.13619017
Topological Polar Surface Area181 Ų
Heavy Atom Count23
Formal Charge0
Complexity332
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes