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6-Cl-PuTP

CAT: 1106-BLG-C049-05Size: 5 μmoLDry Ice: YesHazardous: No
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CAT#:1106-BLG-C049-05Size:5 μmoL
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
55673-61-5
Product Name Alternative
6-Chloropurine riboside-5′-O-triphosphate . tetrasodium salt
Certification
RUO
Type
Modified nucleotides
Purity
> 95% HPLC
Molecular Formula
C 10 H 14 ClN 4 O 13 P 3 (free acid)
Molecular Weight
526.6 (free acid)
Shipping Conditions
Dry Ice
Storage Conditions
-80°C
Appearance
10 mM aqueous solution

Chemical Information

6-Chloro-9 beta-D-ribofuranosylpurine-5'-triphosphate
CAS Number55673-61-5
PubChem CID6453225
IUPAC Name[[(2R,3S,4R,5R)-5-(6-chloropurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate
Molecular FormulaC10H14ClN4O13P3
Molecular Weight526.61
XLogP-4.4
Topological Polar Surface Area253
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count16
Rotatable Bond Count8
Heavy Atom Count31
Formal Charge0
Complexity804
SMILES
C1=NC2=C(C(=N1)Cl)N=CN2[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O
InChI
InChI=1S/C10H14ClN4O13P3/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(26-10)1-25-30(21,22)28-31(23,24)27-29(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H,23,24)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1
InChIKey
WNBYTJKDDLUPCV-KQYNXXCUSA-N
Chemical Structure
2D Structure
2D structure of 6-Chloro-9 beta-D-ribofuranosylpurine-5'-triphosphate
CAS: 55673-61-5
CID: 6453225
Formula: C10H14ClN4O13P3
MW: 526.61
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight526.61
XLogP3-4.4
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count16
Rotatable Bond Count8
Exact Mass525.9458752
Monoisotopic Mass525.9458752
Topological Polar Surface Area253 Ų
Heavy Atom Count31
Formal Charge0
Complexity804
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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