2-Methylthio-N6-methyladenosine

CAT: 0926-NM159489-01Size: 5 mgDry Ice: NoHazardous: No

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CAT#:0926-NM159489-01Size:5 mg

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CAS Number

13406-51-4

Smiles

O[C@H]1[C@H] (N2C=3C (N=C2) =C (NC) N=C (SC) N3) O[C@H] (CO) [C@H]1O

Molecular Formula

C12H17N5O4S

Molecular Weight

327.36 g/mol

Controlled

Chemical Information

N6-Methyl-2-methylthioadenosine

CAS Number	13406-51-4
PubChem CID	67228673
IUPAC Name	(2R,3S,4R,5R)-2-(hydroxymethyl)-5-[6-(methylamino)-2-methylsulfanylpurin-9-yl]oxolane-3,4-diol
Molecular Formula	C12H17N5O4S
Molecular Weight	327.36
XLogP	0.5
Topological Polar Surface Area	151
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	9
Rotatable Bond Count	4
Heavy Atom Count	22
Formal Charge	0
Complexity	395

SMILES

CNC1=C2C(=NC(=N1)SC)N(C=N2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O

InChI

InChI=1S/C12H17N5O4S/c1-13-9-6-10(16-12(15-9)22-2)17(4-14-6)11-8(20)7(19)5(3-18)21-11/h4-5,7-8,11,18-20H,3H2,1-2H3,(H,13,15,16)/t5-,7-,8-,11-/m1/s1

InChIKey

PHFMCMDFWSZKGD-IOSLPCCCSA-N

Chemical Structure

2D Structure

CAS: 13406-51-4

CID: 67228673

Formula: C12H17N5O4S

MW: 327.36

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	327.36
XLogP3	0.5
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	9
Rotatable Bond Count	4
Exact Mass	327.10012521
Monoisotopic Mass	327.10012521
Topological Polar Surface Area	151 Å²
Heavy Atom Count	22
Formal Charge	0
Complexity	395
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

Catalog	Name
NM32281-01	N6-Methyladenosine
ND06386-01	2'-Deoxy-N6-methyladenosine
NM162983-01	2-Methylamino-N6-methyladenosine
PFA89643-01	N6-Methyladenosine-d3
NB57530-01	N6-Benzoyl-2'-O-methyladenosine
NM157460-01	N6-Methyl-2'-O-methyladenosine
FM163905-01	2-Methylthio-N6-threonylcarbamoyladenosine
NM30233-01	2-Methylthio-N6-isopentenyladenosine
ND159353	7-Deaza 2-C-methyl-N6-methyladenosine
NM10586-01	N6-Methyladenosine-5'-monophosphate sodium

Catalog	Name
B2715-50	N6-Methyladenosine
MBS5826103	2-Chloro-N6-methyladenosine
GN1250-25mg	2''-Deoxy-N6-methyladenosine
MBS5825923	2-Methylamino-N6-methyladenosine
GTR19215191-01	N6, N6-Dimethyl-2'-C-methyladenosine
GTR19215154-01	N6, N6-Dimethyl-2'-O-methyladenosine
HY-152365	N6, N6-Dimethyl-2’-β-C-methyladenosine
MBS5825949	N6,N6-Dimethyl-2'-O-methyladenosine