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DATPαS

CAT: 0804-HY-W784573Size: 1 EachDry Ice: NoHazardous: No
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Description
DATPαS (2'-Deoxyadenosine 5'-O- (1-thiotriphosphate) ) is a monomeric raw material that can be used for nucleic acid synthesis.
CAS Number
64145-28-4
Product Name Alternative
2'-Deoxyadenosine 5'-O- (1-thiotriphosphate)
UNSPSC
12352005
Hazard Statement
H302-H315-H319-H335
Target
Nucleoside Antimetabolite/Analog
Related Pathways
Cell Cycle/DNA Damage
Field of Research
Metabolic Disease
Smiles
O=P(O)(O)OP(OP(OC[C@H]1O[C@@H](N2C(N=CN=C3N)=C3N=C2)C[C@@H]1O)(S)=O)(O)=O
Molecular Formula
C10H16N5O11P3S
Molecular Weight
507.25
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

2'-Deoxyadenosine 5'-O-(1-thiotriphosphate)

RN given refers to cpd without isomeric designation; structure.

CAS Number64145-28-4
PubChem CID196416
IUPAC Name[[(2R,3S,5R)-5-(6-aminopurin-9-yl)-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphinothioyl] phosphono hydrogen phosphate
Molecular FormulaC10H16N5O11P3S
Molecular Weight507.25
XLogP-2.7
Topological Polar Surface Area274
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count16
Rotatable Bond Count8
Heavy Atom Count30
Formal Charge0
Complexity774
SMILES
C1[C@@H]([C@H](O[C@H]1N2C=NC3=C(N=CN=C32)N)COP(=S)(O)OP(=O)(O)OP(=O)(O)O)O
InChI
InChI=1S/C10H16N5O11P3S/c11-9-8-10(13-3-12-9)15(4-14-8)7-1-5(16)6(24-7)2-23-29(22,30)26-28(20,21)25-27(17,18)19/h3-7,16H,1-2H2,(H,20,21)(H,22,30)(H2,11,12,13)(H2,17,18,19)/t5-,6+,7+,29?/m0/s1
InChIKey
CCPIKNHZOWQALM-DLQJRSQOSA-N
Chemical Structure
2D Structure
2D structure of 2'-Deoxyadenosine 5'-O-(1-thiotriphosphate)
CAS: 64145-28-4
CID: 196416
Formula: C10H16N5O11P3S
MW: 507.25
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight507.25
XLogP3-2.7
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count16
Rotatable Bond Count8
Exact Mass506.97798851
Monoisotopic Mass506.97798851
Topological Polar Surface Area274 Ų
Heavy Atom Count30
Formal Charge0
Complexity774
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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NU-426LDATPαS
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JBS-NU-256SEtheno-dATP (ε-dATP), S pack
JBS-NU-426SDATPαS, S pack
BLG-D007-25Sp-dATP-α-S
TCL-01020DATPαS sodium
BLG-D006-25Rp-dATP-α-S
GTR19279696-01Rp-dATPαS
JBS-NU-426LDATPαS, L pack
JBS-NU-203SMant-dATP, S pack

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