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2'-O-Methyl-N1-methyladenosine

CAT: 0931-TNU0471-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0931-TNU0471-01Size:1 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
91101-00-7
Target
Others, Nucleoside Antimetabolite/Analog
Related Pathways
Cell Cycle/Checkpoint, Others, DNA Damage/DNA Repair
Bioactivity
Nucleoside Derivatives - N-Alkylated nucleosides; 2'-Modified nucleosides; Naturally modified ribo-nucloesides
Smiles
O(C)[C@H]1[C@H](N2C3=C(N=C2)C(=N)N(C)C=N3)O[C@H](CO)[C@H]1O
Molecular Formula
C12H17N5O4
Molecular Weight
295.29
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

2'-O-Methyl-1-methyladenosine
CAS Number91101-00-7
PubChem CID135554419
IUPAC Name(2R,3R,4R,5R)-2-(hydroxymethyl)-5-(6-imino-1-methyl-2,3-dihydropurin-9-yl)-4-methoxyoxolan-3-ol
Molecular FormulaC12H19N5O4
Molecular Weight297.31
XLogP-1
Topological Polar Surface Area116
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count7
Rotatable Bond Count3
Heavy Atom Count21
Formal Charge0
Complexity411
SMILES
CN1CNC2=C(C1=N)N=CN2[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)OC
InChI
InChI=1S/C12H19N5O4/c1-16-4-15-11-7(10(16)13)14-5-17(11)12-9(20-2)8(19)6(3-18)21-12/h5-6,8-9,12-13,15,18-19H,3-4H2,1-2H3/t6-,8-,9-,12-/m1/s1
InChIKey
ABZGKVIDNBLRBI-WOUKDFQISA-N
Chemical Structure
2D Structure
2D structure of 2'-O-Methyl-1-methyladenosine
CAS: 91101-00-7
CID: 135554419
Formula: C12H19N5O4
MW: 297.31
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight297.31
XLogP3-1
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count7
Rotatable Bond Count3
Exact Mass297.14370410
Monoisotopic Mass297.14370410
Topological Polar Surface Area116 Ų
Heavy Atom Count21
Formal Charge0
Complexity411
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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NM03697-01N1-Methyladenosine
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