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2'-O-4'-C-Locked-rA

CAT: 0936-NS130-100Size: 100 gDry Ice: NoHazardous: No
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CAT#:0936-NS130-100Size:100 g
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
206055-70-1
Storage Conditions
2-8°C. Keep in dry place.

Chemical Information

2'-O,4'-C-Methyleneadenosine
CAS Number206055-70-1
PubChem CID44436074
IUPAC Name(1S,3R,4R,7S)-3-(6-aminopurin-9-yl)-1-(hydroxymethyl)-2,5-dioxabicyclo[2.2.1]heptan-7-ol
Molecular FormulaC11H13N5O4
Molecular Weight279.25
XLogP-1.8
Topological Polar Surface Area129
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count8
Rotatable Bond Count2
Heavy Atom Count20
Formal Charge0
Complexity401
SMILES
C1[C@]2([C@H]([C@@H](O1)[C@@H](O2)N3C=NC4=C(N=CN=C43)N)O)CO
InChI
InChI=1S/C11H13N5O4/c12-8-5-9(14-3-13-8)16(4-15-5)10-6-7(18)11(1-17,20-10)2-19-6/h3-4,6-7,10,17-18H,1-2H2,(H2,12,13,14)/t6-,7+,10-,11+/m1/s1
InChIKey
GHKDRNDFVCEETA-KYAGDKKUSA-N
Chemical Structure
2D Structure
2D structure of 2'-O,4'-C-Methyleneadenosine
CAS: 206055-70-1
CID: 44436074
Formula: C11H13N5O4
MW: 279.25
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight279.25
XLogP3-1.8
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count8
Rotatable Bond Count2
Exact Mass279.09675391
Monoisotopic Mass279.09675391
Topological Polar Surface Area129 Ų
Heavy Atom Count20
Formal Charge0
Complexity401
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