N6-Acetyl-2'-deoxyadenosine

CAT: 0926-NA57527-01Size: 5 gDry Ice: NoHazardous: No

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CAT#:0926-NA57527-01Size:5 g

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CAS Number

1443367-96-1

Smiles

CC (=O) NC1=C2C (=NC=N1) N (C=N2) C3CC (C (O3) CO) O

Molecular Formula

C12H15N5O4

Molecular Weight

293.28 g/mol

Controlled

Chemical Information

N6-Acetyl-2'-deoxyadenosine

CAS Number	1443367-96-1
PubChem CID	23275717
IUPAC Name	N-[9-[4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]purin-6-yl]acetamide
Molecular Formula	C12H15N5O4
Molecular Weight	293.28
XLogP	-1.4
Topological Polar Surface Area	122
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	3
Heavy Atom Count	21
Formal Charge	0
Complexity	398

SMILES

CC(=O)NC1=C2C(=NC=N1)N(C=N2)C3CC(C(O3)CO)O

InChI

InChI=1S/C12H15N5O4/c1-6(19)16-11-10-12(14-4-13-11)17(5-15-10)9-2-7(20)8(3-18)21-9/h4-5,7-9,18,20H,2-3H2,1H3,(H,13,14,16,19)

InChIKey

DKVIBEFOBOVION-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1443367-96-1

CID: 23275717

Formula: C12H15N5O4

MW: 293.28

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	293.28
XLogP3	-1.4
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	3
Exact Mass	293.11240398
Monoisotopic Mass	293.11240398
Topological Polar Surface Area	122 Å²
Heavy Atom Count	21
Formal Charge	0
Complexity	398
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	3
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
NB06336-01	N6-Benzoyl-2'-deoxyadenosine
NE06241-01	N6-Etheno 2'-deoxyadenosine
NB05230-01	N6-Benzyl-2-deoxyadenosine
NA09018-01	N6- (6-Aminohexyl) -2'-deoxyadenosine
NB31303-01	N6-Benzoyl-3'-deoxyadenosine
NB74991-01	N6-Benzoyl-7-deaza-2'-deoxyadenosine
SFA97940-01	N6-Benzoyl-8-benzyloxy-2'-deoxyadenosine
ND07994-01	N6,3'-O-Dibenzoyl-2'-deoxyadenosine
HIA90652	8-Bromo-N6- (dimethylaminomethylidene) -2'-deoxyadenosine
NA08525-01	3'-O-Acetyl-2'-deoxyadenosine

Catalog	Name
TNU1270-01	N6-Isopentenyl-2'-deoxyadenosine
MBS387714-01	N6-Etheno 2'-deoxyadenosine
sc-295829	N6-Benzoyl-2'-deoxyadenosine
sc-222031	N6-Methyl-2'-deoxyadenosine
295422-01	N6-Benzyl-2-deoxyadenosine
TNU1534-01	N6-Ethyl-2'-deoxyadenosine
GN5101-25mg	N6-Etheno 2''-deoxyadenosine
OR1014220-01	N6-Benzoyl-2’-Deoxyadenosine
HY-154262	N6-Ethyl-2’-deoxyadenosine
TNU1583-01	2-Chloro-N6, N6-dimethyl-2'-deoxyadenosine