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1-Methyladenosine 500mg

CAT: 0628-A18841-500Size: 500 mgDry Ice: NoHazardous: No
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CAT#:0628-A18841-500Size:500 mg
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CAS Number
15763-06-1

Chemical Information

1-Methyladenosine

1-methyladenosine is a methyladenosine carrying a methyl substituent at position 1. It has a role as a human metabolite. It is functionally related to an adenosine.

CAS Number15763-06-1
PubChem CID27476
IUPAC Name(2R,3S,4R,5R)-2-(hydroxymethyl)-5-(6-imino-1-methylpurin-9-yl)oxolane-3,4-diol
Molecular FormulaC11H15N5O4
Molecular Weight281.27
XLogP-1
Topological Polar Surface Area127
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count7
Rotatable Bond Count2
Heavy Atom Count20
Formal Charge0
Complexity433
SMILES
CN1C=NC2=C(C1=N)N=CN2[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O
InChI
InChI=1S/C11H15N5O4/c1-15-3-14-10-6(9(15)12)13-4-16(10)11-8(19)7(18)5(2-17)20-11/h3-5,7-8,11-12,17-19H,2H2,1H3/t5-,7-,8-,11-/m1/s1
InChIKey
GFYLSDSUCHVORB-IOSLPCCCSA-N
Chemical Structure
2D Structure
2D structure of 1-Methyladenosine
CAS: 15763-06-1
CID: 27476
Formula: C11H15N5O4
MW: 281.27
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight281.27
XLogP3-1
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count7
Rotatable Bond Count2
Exact Mass281.11240398
Monoisotopic Mass281.11240398
Topological Polar Surface Area127 Ų
Heavy Atom Count20
Formal Charge0
Complexity433
Isotope Atom Count0
Defined Atom Stereocenter Count4
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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