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DTTPαS

CAT: 0804-HY-178587Size: 1 EachDry Ice: NoHazardous: No
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CAT#:0804-HY-178587Size:1 Each
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Description
DTTPαS is a monomeric raw material that can be used for nucleic acid synthesis.
CAS Number
18883-94-8
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(OP(O)(O)=O)(O)=O)(S)=O
Molecular Formula
C10H17N2O13P3S
Molecular Weight
498.23
Shipping Conditions
Room temperature
Scientific Category
Oligonucleotides
Clinical Information
No Development Reported

Chemical Information

Thymidine 5'-O-(1-thiotriphosphate)
CAS Number18883-94-8
PubChem CID161258
IUPAC Name[hydroxy-[[(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphinothioyl] phosphono hydrogen phosphate
Molecular FormulaC10H17N2O13P3S
Molecular Weight498.24
XLogP-3.3
Topological Polar Surface Area254
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count14
Rotatable Bond Count8
Heavy Atom Count29
Formal Charge0
Complexity858
SMILES
CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=S)(O)OP(=O)(O)OP(=O)(O)O)O
InChI
InChI=1S/C10H17N2O13P3S/c1-5-3-12(10(15)11-9(5)14)8-2-6(13)7(23-8)4-22-28(21,29)25-27(19,20)24-26(16,17)18/h3,6-8,13H,2,4H2,1H3,(H,19,20)(H,21,29)(H,11,14,15)(H2,16,17,18)/t6-,7+,8+,28?/m0/s1
InChIKey
PXHHTOSRELKWOE-MXWQNOQOSA-N
Chemical Structure
2D Structure
2D structure of Thymidine 5'-O-(1-thiotriphosphate)
CAS: 18883-94-8
CID: 161258
Formula: C10H17N2O13P3S
MW: 498.24
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight498.24
XLogP3-3.3
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count14
Rotatable Bond Count8
Exact Mass497.96642077
Monoisotopic Mass497.96642077
Topological Polar Surface Area254 Ų
Heavy Atom Count29
Formal Charge0
Complexity858
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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JBS-NU-410LDTTPαS, L pack
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JBS-NU-1224S3′-Phosphate-dTTP, S pack
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