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N6-Formyl-adenosine

CAT: 0572-TRC-F693455-1MGSize: 1 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-F693455-1MGSize:1 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
6706-56-5
Synonyms
N-Formyl-adenosine; N-(9-β-D-Ribofuranosyl-9H-purin-6-yl)formamide;
Hazard Statement
No Data Available
Purity
>95% (HPLC)
Smiles
OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n2cnc3c(NC=O)ncnc23
Molecular Formula
C11 H13 N5 O5
Molecular Weight
295.251
InChI
InChI=1S/C11H13N5O5/c17-1-5-7(19)8(20)11(21-5)16-3-14-6-9(15-4-18)12-2-13-10(6)16/h2-5,7-8,11,17,19-20H,1H2,(H,12,13,15,18)/t5-,7-,8-,11-/m1/s1
Additionnal Information
IUPAC name: N-[9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]purin-6-yl]formamide
Shipping Conditions
Room Temperature
Storage Conditions
-20°C

Chemical Information

N6-Formyl-adenosine
CAS Number6706-56-5
PubChem CID54537864
IUPAC NameN-[9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]purin-6-yl]formamide
Molecular FormulaC11H13N5O5
Molecular Weight295.25
XLogP-1.2
Topological Polar Surface Area143
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count8
Rotatable Bond Count3
Heavy Atom Count21
Formal Charge0
Complexity388
SMILES
C1=NC(=C2C(=N1)N(C=N2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)NC=O
InChI
InChI=1S/C11H13N5O5/c17-1-5-7(19)8(20)11(21-5)16-3-14-6-9(15-4-18)12-2-13-10(6)16/h2-5,7-8,11,17,19-20H,1H2,(H,12,13,15,18)/t5-,7-,8-,11-/m1/s1
InChIKey
BBJXVWOUESNRCD-IOSLPCCCSA-N
Chemical Structure
2D Structure
2D structure of N6-Formyl-adenosine
CAS: 6706-56-5
CID: 54537864
Formula: C11H13N5O5
MW: 295.25
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight295.25
XLogP3-1.2
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count8
Rotatable Bond Count3
Exact Mass295.09166853
Monoisotopic Mass295.09166853
Topological Polar Surface Area143 Ų
Heavy Atom Count21
Formal Charge0
Complexity388
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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TNU0520-01N6, N6-Dimethyl-xylo-adenosine
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