N6-Benzyl-ADP

CAT: 0220-NU-1194SSize: 300 µLDry Ice: NoHazardous: No

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CAT#:0220-NU-1194SSize:300 µL

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CAS Number

40811-89-0

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

N(Cc1ccccc1)c1ncnc2n([C@@H]3O[C@H](COP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]3O)cnc12

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

N6-Benzyl Adenosine-5'-Diphosphate

CAS Number	40811-89-0
PubChem CID	446795
IUPAC Name	[(2R,3S,4R,5R)-5-[6-(benzylamino)purin-9-yl]-3,4-dihydroxyoxolan-2-yl]methyl phosphono hydrogen phosphate
Molecular Formula	C17H21N5O10P2
Molecular Weight	517.3
XLogP	-2.5
Topological Polar Surface Area	219
Hydrogen Bond Donor Count	6
Hydrogen Bond Acceptor Count	14
Rotatable Bond Count	9
Heavy Atom Count	34
Formal Charge	0
Complexity	786

SMILES

C1=CC=C(C=C1)CNC2=C3C(=NC=N2)N(C=N3)[C@H]4[C@@H]([C@@H]([C@H](O4)COP(=O)(O)OP(=O)(O)O)O)O

InChI

InChI=1S/C17H21N5O10P2/c23-13-11(7-30-34(28,29)32-33(25,26)27)31-17(14(13)24)22-9-21-12-15(19-8-20-16(12)22)18-6-10-4-2-1-3-5-10/h1-5,8-9,11,13-14,17,23-24H,6-7H2,(H,28,29)(H,18,19,20)(H2,25,26,27)/t11-,13-,14-,17-/m1/s1

InChIKey

MRHGMAGSDAQUFH-LSCFUAHRSA-N

Chemical Structure

2D Structure

CAS: 40811-89-0

CID: 446795

Formula: C17H21N5O10P2

MW: 517.3

Interactive 3D Structure

Loading 3D structure...

View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	517.3
XLogP3	-2.5
Hydrogen Bond Donor Count	6
Hydrogen Bond Acceptor Count	14
Rotatable Bond Count	9
Exact Mass	517.07636588
Monoisotopic Mass	517.07636588
Topological Polar Surface Area	219 Å²
Heavy Atom Count	34
Formal Charge	0
Complexity	786
Isotope Atom Count	0
Defined Atom Stereocenter Count	4
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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GTR19152805	N6-Benzyl-ADP
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GTR19207519	N6-Benzyl-ATP
JBS-NU-10705-10	N6-Benzyl-dATP
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N6-Benzyl-ADP

Chemical Information

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