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Thymidine 5′-diphosphate (disodium)

CAT: 0804-HY-131576BSize: 1 EachDry Ice: NoHazardous: No
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Description
Thymidine 5′-diphosphate (dTDP) disodium is a monomeric raw material that can be used for nucleic acid synthesis.
CAS Number
28120-41-4
Product Name Alternative
DTDP (disodium)
UNSPSC
12352005
Target
Nucleoside Antimetabolite/Analog
Related Pathways
Cell Cycle/DNA Damage
Field of Research
Metabolic Disease
Smiles
O[C@H]1C[C@H](N(C=C(C(N2)=O)C)C2=O)O[C@@H]1COP(OP(O[Na])(O[Na])=O)(O)=O
Molecular Formula
C10H14N2Na2O11P2
Molecular Weight
446.15
Shipping Conditions
Room temperature
Scientific Category
Oligonucleotides
Clinical Information
No Development Reported

Chemical Information

((2R,3S,5R)-3-Hydroxy-5-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)tetrahydrofuran-2-yl)methyl trihydrogen diphosphate disodium salt
CAS Number28120-41-4
PubChem CID155270790
Molecular FormulaC10H16N2Na2O11P2
Molecular Weight448.17
Topological Polar Surface Area192
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count11
Rotatable Bond Count6
Heavy Atom Count27
Formal Charge0
Complexity688
SMILES
CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)OP(=O)(O)O)O.[Na].[Na]
InChI
InChI=1S/C10H16N2O11P2.2Na/c1-5-3-12(10(15)11-9(5)14)8-2-6(13)7(22-8)4-21-25(19,20)23-24(16,17)18;;/h3,6-8,13H,2,4H2,1H3,(H,19,20)(H,11,14,15)(H2,16,17,18);;/t6-,7+,8+;;/m0../s1
InChIKey
YRDGURQEQMIBHE-ZJWYQBPBSA-N
Chemical Structure
2D Structure
2D structure of ((2R,3S,5R)-3-Hydroxy-5-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)tetrahydrofuran-2-yl)methyl trihydrogen diphosphate disodium salt
CAS: 28120-41-4
CID: 155270790
Formula: C10H16N2Na2O11P2
MW: 448.17
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight448.17
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count11
Rotatable Bond Count6
Exact Mass448.00247189
Monoisotopic Mass448.00247189
Topological Polar Surface Area192 Ų
Heavy Atom Count27
Formal Charge0
Complexity688
Isotope Atom Count0
Defined Atom Stereocenter Count3
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count3
Compound Is CanonicalizedYes

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