P-Topolin

CAT: 0926-FT30290-05Size: 25 mgDry Ice: NoHazardous: No

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CAT#:0926-FT30290-05Size:25 mg

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CAS Number

80054-30-4

Synonyms

6- (4-Hydroxybenzylamino) purine; N6- (4-Hydroxybenzyl) adenosine

Smiles

C1=CC (=CC=C1CNC2=NC=NC3=C2NC=N3) O

Molecular Formula

C12H11N5O

Molecular Weight

241.25 g/mol

Shipping Conditions

Cool Pack

Controlled

Chemical Information

Phenol, 4-[(1H-purin-6-ylamino)methyl]-

CAS Number	80054-30-4
PubChem CID	9964771
IUPAC Name	4-[(7H-purin-6-ylamino)methyl]phenol
Molecular Formula	C12H11N5O
Molecular Weight	241.25
XLogP	1.6
Topological Polar Surface Area	86.7
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	3
Heavy Atom Count	18
Formal Charge	0
Complexity	269

SMILES

C1=CC(=CC=C1CNC2=NC=NC3=C2NC=N3)O

InChI

InChI=1S/C12H11N5O/c18-9-3-1-8(2-4-9)5-13-11-10-12(15-6-14-10)17-7-16-11/h1-4,6-7,18H,5H2,(H2,13,14,15,16,17)

InChIKey

XTKJIEMODDQCRV-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 80054-30-4

CID: 9964771

Formula: C12H11N5O

MW: 241.25

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	241.25
XLogP3	1.6
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	3
Exact Mass	241.09635999
Monoisotopic Mass	241.09635999
Topological Polar Surface Area	86.7 Å²
Heavy Atom Count	18
Formal Charge	0
Complexity	269
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
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
FT30286-01	O-Topolin
FT10526-01	M-Topolin
NT30283-01	M-Topolin riboside
NT30288-01	O-Topolin riboside
MT30284-01	M-Topolin-9-glucoside
MT30287-01	O-Topolin-9-glucoside
NT30285-01	M-Topolin riboside-5'-monophosphate salt
NT30289-01	O-Topolin riboside-5'-monophosphate sodium salt
QBA61535-01	P, p'-Dimethoxytriphenylcarbinol
SBA09205-01	P, P'-[ (1,2-Phenylene) bis (methylene) ]bisphosphonic acid P, P, P', P'-tetraethyl ester

Catalog	Name
290565-01	P-Topolin
296518-01	P-Topolin riboside
295020	P-Topolin-9-glucoside
296519	P-Topolin riboside-5'-monophosphate sodium salt
BUP13958-01	Meta-Topolin
TRC-T540280-25MG	ortho-Topolin
462036-01	Para-Topolin
290564-01	O-Topolin
4214-01	META- TOPOLIN
289781-01	M-Topolin