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2’-O-Methylisocytidine

CAT: 0804-HY-153061Size: 1 EachDry Ice: NoHazardous: No
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CAT#:0804-HY-153061Size:1 Each
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Description
2'-O-Methylisocytidine is a nucleoside compound[1].
CAS Number
175471-65-5
UNSPSC
12352005
Target
Nucleoside Antimetabolite/Analog
Type
Reference compound
Related Pathways
Cell Cycle/DNA Damage
Applications
Cancer-programmed cell death
Field of Research
Others
Assay Protocol
https://www.medchemexpress.com/2-o-methylisocytidine.html
Solubility
10 mM in DMSO
Smiles
O=C1N=C(N)N([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2OC)C=C1
Molecular Formula
C10H15N3O5
Molecular Weight
257.24
References & Citations
[1]Frank Seela, et al. 2′-Deoxyuridine and 2′-Deoxyisocytidine as Constituents of DNA with Parallel Chain Orientation: The Stabilization of the iCd⋅Gd Base Pair by the 5-Methyl Group.HERLVETICA.Volume83, Issue9.September 6, 2000. Pages 2527-2540
Shipping Conditions
Room temperature
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

2-Amino-1-((2R,3R,4R,5R)-4-hydroxy-5-(hydroxymethyl)-3-methoxytetrahydrofuran-2-yl)pyrimidin-4(1H)-one
CAS Number175471-65-5
PubChem CID15279495
IUPAC Name2-amino-1-[(2R,3R,4R,5R)-4-hydroxy-5-(hydroxymethyl)-3-methoxyoxolan-2-yl]pyrimidin-4-one
Molecular FormulaC10H15N3O5
Molecular Weight257.24
XLogP-1.6
Topological Polar Surface Area118
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count3
Heavy Atom Count18
Formal Charge0
Complexity397
SMILES
CO[C@@H]1[C@@H]([C@H](O[C@H]1N2C=CC(=O)N=C2N)CO)O
InChI
InChI=1S/C10H15N3O5/c1-17-8-7(16)5(4-14)18-9(8)13-3-2-6(15)12-10(13)11/h2-3,5,7-9,14,16H,4H2,1H3,(H2,11,12,15)/t5-,7-,8-,9-/m1/s1
InChIKey
YNICOGPIWXQHOX-ZOQUXTDFSA-N
Chemical Structure
2D Structure
2D structure of 2-Amino-1-((2R,3R,4R,5R)-4-hydroxy-5-(hydroxymethyl)-3-methoxytetrahydrofuran-2-yl)pyrimidin-4(1H)-one
CAS: 175471-65-5
CID: 15279495
Formula: C10H15N3O5
MW: 257.24
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight257.24
XLogP3-1.6
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count3
Exact Mass257.10117059
Monoisotopic Mass257.10117059
Topological Polar Surface Area118 Ų
Heavy Atom Count18
Formal Charge0
Complexity397
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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