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DITP

CAT: 0804-HY-W784564Size: 1 EachDry Ice: NoHazardous: No
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CAT#:0804-HY-W784564Size:1 Each
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Description
DITP (2'-Deoxyinosine-5'-triphosphate) is a monomeric raw material that can be used for nucleic acid synthesis.
CAS Number
16595-02-1
Product Name Alternative
2'-Deoxyinosine-5'-triphosphate
UNSPSC
12352005
Hazard Statement
H302-H315-H319-H335
Target
Nucleoside Antimetabolite/Analog
Related Pathways
Cell Cycle/DNA Damage
Applications
Metabolism-protein/nucleotide metabolism
Field of Research
Metabolic Disease
Smiles
O[C@H]1C[C@H](N(C=N2)C(NC=N3)=C2C3=O)O[C@@H]1COP(OP(OP(O)(O)=O)(O)=O)(O)=O
Molecular Formula
C10H15N4O13P3
Molecular Weight
492.17
Precautions
P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501
Shipping Conditions
Room temperature
Scientific Category
Oligonucleotides
Clinical Information
No Development Reported

Chemical Information

dITP

DITP is a deoxyinosine phosphate compound having a triphosphate group at the 5'-position. It has a role as a mouse metabolite and an Escherichia coli metabolite. It is a deoxyinosine phosphate and a purine 2'-deoxyribonucleoside 5'-triphosphate. It is a conjugate acid of a dITP(4-).

CAS Number16595-02-1
PubChem CID135398616
IUPAC Name[hydroxy-[[(2R,3S,5R)-3-hydroxy-5-(6-oxo-1H-purin-9-yl)oxolan-2-yl]methoxy]phosphoryl] phosphono hydrogen phosphate
Molecular FormulaC10H15N4O13P3
Molecular Weight492.17
XLogP-5
Topological Polar Surface Area249
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count15
Rotatable Bond Count8
Heavy Atom Count30
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
InChI
InChI=1S/C10H15N4O13P3/c15-5-1-7(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/h3-7,15H,1-2H2,(H,20,21)(H,22,23)(H,11,12,16)(H2,17,18,19)/t5-,6+,7+/m0/s1
InChIKey
UFJPAQSLHAGEBL-RRKCRQDMSA-N
Chemical Structure
2D Structure
2D structure of dITP
CAS: 16595-02-1
CID: 135398616
Formula: C10H15N4O13P3
MW: 492.17
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight492.17
XLogP3-5
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count15
Rotatable Bond Count8
Exact Mass491.98484754
Monoisotopic Mass491.98484754
Topological Polar Surface Area249 Ų
Heavy Atom Count30
Formal Charge0
Complexity849
Isotope Atom Count0
Defined Atom Stereocenter Count3
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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