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8-Chloro-cAMP

CAT: 0607-BA9072-5Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0607-BA9072-5Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
41941-56-4
Form
A solid
Molecular Formula
C10H11ClN5O6P
Molecular Weight
363.65
Shipping Conditions
Blue ice
Storage Conditions
-20°C.

Chemical Information

Tocladesine

Tocladesine has been used in trials studying the treatment of Colorectal Cancer and Multiple Myeloma and Plasma Cell Neoplasm.

CAS Number41941-56-4
PubChem CID100299
IUPAC Name(4aR,6R,7R,7aS)-6-(6-amino-8-chloropurin-9-yl)-2-hydroxy-2-oxo-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-7-ol
Molecular FormulaC10H11ClN5O6P
Molecular Weight363.65
XLogP-1.6
Topological Polar Surface Area155
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count10
Rotatable Bond Count1
Heavy Atom Count23
Formal Charge0
Complexity532
SMILES
C1[C@@H]2[C@H]([C@H]([C@@H](O2)N3C4=NC=NC(=C4N=C3Cl)N)O)OP(=O)(O1)O
InChI
InChI=1S/C10H11ClN5O6P/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)/t3-,5-,6-,9-/m1/s1
InChIKey
CLLFEJLEDNXZNR-UUOKFMHZSA-N
Chemical Structure
2D Structure
2D structure of Tocladesine
CAS: 41941-56-4
CID: 100299
Formula: C10H11ClN5O6P
MW: 363.65
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight363.65
XLogP3-1.6
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count10
Rotatable Bond Count1
Exact Mass363.0135478
Monoisotopic Mass363.0135478
Topological Polar Surface Area155 Ų
Heavy Atom Count23
Formal Charge0
Complexity532
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

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