DATPαS

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CAS Number

64145-28-4

UNSPSC

12352208

UNSPSC Description

Nucleic acids

HS Code

29349990

eClass Number

34160990

eClass Product Group

Nucleinsäure (nicht klassifiziert)

Concentration

(10 mM)

Purity

≥ 95 % (HPLC)

Form

Solution in water

7.5 ±0.5

Color

Colorless to slightly yellow

Autoclavability

—

Smiles

Nc1c2c(n([C@H]3C[C@@H]([C@H](O3)COP(=S)(O)OP(=O)(O)OP(=O)(O)O)O)cn2)ncn1

Shipping Conditions

Shipped on gel packs

Storage Conditions

Store at -20 °C. Short term exposure (up to 1 week cumulative) to ambient temperature possible.

Storage Temperature

Store at -20 °C

Notes

Short term exposure (up to 1 week cumulative) to ambient temperature possible.

Shelf Life

12 months after date of delivery

Chemical Information

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

RN given refers to cpd without isomeric designation; structure.

CAS Number	64145-28-4
PubChem CID	196416
IUPAC Name	[[(2R,3S,5R)-5-(6-aminopurin-9-yl)-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphinothioyl] phosphono hydrogen phosphate
Molecular Formula	C10H16N5O11P3S
Molecular Weight	507.25
XLogP	-2.7
Topological Polar Surface Area	274
Hydrogen Bond Donor Count	6
Hydrogen Bond Acceptor Count	16
Rotatable Bond Count	8
Heavy Atom Count	30
Formal Charge	0
Complexity	774

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

CAS: 64145-28-4

CID: 196416

Formula: C10H16N5O11P3S

MW: 507.25

Interactive 3D Structure

Loading 3D structure...

View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	507.25
XLogP3	-2.7
Hydrogen Bond Donor Count	6
Hydrogen Bond Acceptor Count	16
Rotatable Bond Count	8
Exact Mass	506.97798851
Monoisotopic Mass	506.97798851
Topological Polar Surface Area	274 Å²
Heavy Atom Count	30
Formal Charge	0
Complexity	774
Isotope Atom Count	0
Defined Atom Stereocenter Count	3
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Product Datasheet

Product MSDS

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HY-W784573	DATPαS
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JBS-NU-426S	DATPαS, S pack
HY-137620B	Rp-dATPαS
BLG-D007-25	Sp-dATP-α-S
BLG-D006-25	Rp-dATP-α-S
GTR19256554	DATPαS sodium
HY-W784573A-01	DATPαS (sodium)
HY-137620	Sp-dATPαS

DATPαS

Chemical Information

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