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1-Methyl-Inosine

CAT: 0572-TRC-M313600-1GSize: 1 gDry Ice: NoHazardous: No
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CAT#:0572-TRC-M313600-1GSize:1 g
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2140-73-0
Synonyms
1-Methylinosine; N1-Methylinosine;
Hazard Statement
Not a hazardous substance according to GHS.
Purity
>95% (HPLC)
Smiles
CN1C=NC2=C(C1=O)N=CN2C3C(C(C(O3)CO)O)O
Molecular Formula
C11H14N4O5
Molecular Weight
282.25
InChI
InChI=1S/C11H14N4O5/c1-14-3-13-9-6(10(14)19)12-4-15(9)11-8(18)7(17)5(2-16)20-11/h3-5,7-8,11,16-18H,2H2,1H3/t5-,7-,8-,11-/m1/s1
Additionnal Information
IUPAC name: 9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1-methylpurin-6-one
Shipping Conditions
Room Temperature
Storage Conditions
-20°C

Chemical Information

1-Methylinosine

1-methylinosine is inosine carrying a methyl substituent at position 1 on the hypoxanthine ring. It has a role as a metabolite. It is functionally related to an inosine.

CAS Number2140-73-0
PubChem CID65095
IUPAC Name9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1-methylpurin-6-one
Molecular FormulaC11H14N4O5
Molecular Weight282.25
XLogP-1.1
Topological Polar Surface Area120
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count7
Rotatable Bond Count2
Heavy Atom Count20
Formal Charge0
Complexity433
SMILES
CN1C=NC2=C(C1=O)N=CN2[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O
InChI
InChI=1S/C11H14N4O5/c1-14-3-13-9-6(10(14)19)12-4-15(9)11-8(18)7(17)5(2-16)20-11/h3-5,7-8,11,16-18H,2H2,1H3/t5-,7-,8-,11-/m1/s1
InChIKey
WJNGQIYEQLPJMN-IOSLPCCCSA-N
Chemical Structure
2D Structure
2D structure of 1-Methylinosine
CAS: 2140-73-0
CID: 65095
Formula: C11H14N4O5
MW: 282.25
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight282.25
XLogP3-1.1
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count7
Rotatable Bond Count2
Exact Mass282.09641956
Monoisotopic Mass282.09641956
Topological Polar Surface Area120 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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