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8-Bromo-cAMP 100mg

CAT: 0628-A15910-100Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0628-A15910-100Size:100 mg
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CAS Number
76939-46-3

Chemical Information

8-Bromo-cyclic amp sodium
CAS Number76939-46-3
PubChem CID23702958
IUPAC Namesodium (4aR,6R,7R,7aS)-6-(6-amino-8-bromopurin-9-yl)-2-oxido-2-oxo-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-7-ol
Molecular FormulaC10H10BrN5NaO6P
Molecular Weight430.08
Topological Polar Surface Area158
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count10
Rotatable Bond Count1
Heavy Atom Count24
Formal Charge0
Complexity538
SMILES
C1[C@@H]2[C@H]([C@H]([C@@H](O2)N3C4=NC=NC(=C4N=C3Br)N)O)OP(=O)(O1)[O-].[Na+]
InChI
InChI=1S/C10H11BrN5O6P.Na/c11-10-15-4-7(12)13-2-14-8(4)16(10)9-5(17)6-3(21-9)1-20-23(18,19)22-6;/h2-3,5-6,9,17H,1H2,(H,18,19)(H2,12,13,14);/q;+1/p-1/t3-,5-,6-,9-;/m1./s1
InChIKey
DMRMZQATXPQOTP-GWTDSMLYSA-M
Chemical Structure
2D Structure
2D structure of 8-Bromo-cyclic amp sodium
CAS: 76939-46-3
CID: 23702958
Formula: C10H10BrN5NaO6P
MW: 430.08
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight430.08
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count10
Rotatable Bond Count1
Exact Mass428.94498
Monoisotopic Mass428.94498
Topological Polar Surface Area158 Ų
Heavy Atom Count24
Formal Charge0
Complexity538
Isotope Atom Count0
Defined Atom Stereocenter Count4
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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