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DITP – Solution

CAT: 1106-JBS-NU-1007LSize: 1 mLDry Ice: NoHazardous: No
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CAT#:1106-JBS-NU-1007LSize:1 mL
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
95648-77-4
Certification
RUO
Type
Modified nucleotides
Concentration
100 mM – 110 mM
Purity
≥ 99 % (HPLC)
Molecular Formula
C 10 H 15 N 4 O 13 P 3 (free acid)
Molecular Weight
492.16 (free acid)
Shipping Conditions
Blue Ice
Storage Conditions
-20°C
Notes
For the Original Manufacturer’s data sheet please click here .
Appearance
Clear solution
Formulation
100 mM Sodium salt solution

Chemical Information

inosine 5'-(tetrahydrogen triphosphate), 2'-deoxy-, trisodium salt
CAS Number95648-77-4
PubChem CID135991270
IUPAC Nametrisodium;tris((2R,3S,5R)-2-[[hydroxy-[hydroxy(phosphonooxy)phosphoryl]oxyphosphoryl]oxymethyl]-5-(6-oxo-1H-purin-9-yl)oxolan-3-olate)
Molecular FormulaC30H42N12Na3O39P9
Molecular Weight1542.4
Topological Polar Surface Area754
Hydrogen Bond Donor Count15
Hydrogen Bond Acceptor Count45
Rotatable Bond Count24
Heavy Atom Count93
Formal Charge0
Complexity849
SMILES
C1[C@@H]([C@H](O[C@H]1N2C=NC3=C2N=CNC3=O)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[O-].C1[C@@H]([C@H](O[C@H]1N2C=NC3=C2N=CNC3=O)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[O-].C1[C@@H]([C@H](O[C@H]1N2C=NC3=C2N=CNC3=O)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[O-].[Na+].[Na+].[Na+]
InChI
InChI=1S/3C10H14N4O13P3.3Na/c3*15-5-1-7(14-4-13-8-9(14)11-3-12-10(8)16)25-6(5)2-24-29(20,21)27-30(22,23)26-28(17,18)19;;;/h3*3-7H,1-2H2,(H,20,21)(H,22,23)(H,11,12,16)(H2,17,18,19);;;/q3*-1;3*+1/t3*5-,6+,7+;;;/m000.../s1
InChIKey
HTCBQWXMLDWCKE-QVFJBVLYSA-N
Chemical Structure
2D Structure
2D structure of inosine 5'-(tetrahydrogen triphosphate), 2'-deoxy-, trisodium salt
CAS: 95648-77-4
CID: 135991270
Formula: C30H42N12Na3O39P9
MW: 1542.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight1542.4
Hydrogen Bond Donor Count15
Hydrogen Bond Acceptor Count45
Rotatable Bond Count24
Exact Mass1541.9003754
Monoisotopic Mass1541.9003754
Topological Polar Surface Area754 Ų
Heavy Atom Count93
Formal Charge0
Complexity849
Isotope Atom Count0
Defined Atom Stereocenter Count9
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count6
Compound Is CanonicalizedYes

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