2',3'-Dideoxy-2',3'-didehydroadenosine

CAT: 0127-OR1021137-01Size: 1 mgDry Ice: NoHazardous: No

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CAT#:0127-OR1021137-01Size:1 mg

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CAS Number

7057-48-9

Purity

98%

Smiles

Nc1ncnc2c1ncn2[C@@H]3O[C@H](CO)C=C3

Chemical Information

2',3'-Didehydro-2',3'-dideoxyadenosine

structure given in first source

CAS Number	7057-48-9
PubChem CID	64975
IUPAC Name	[(2S,5R)-5-(6-aminopurin-9-yl)-2,5-dihydrofuran-2-yl]methanol
Molecular Formula	C10H11N5O2
Molecular Weight	233.23
XLogP	-0.4
Topological Polar Surface Area	99.1
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	2
Heavy Atom Count	17
Formal Charge	0
Complexity	313

SMILES

C1=C[C@@H](O[C@@H]1CO)N2C=NC3=C(N=CN=C32)N

InChI

InChI=1S/C10H11N5O2/c11-9-8-10(13-4-12-9)15(5-14-8)7-2-1-6(3-16)17-7/h1-2,4-7,16H,3H2,(H2,11,12,13)/t6-,7+/m0/s1

InChIKey

JFUOUIPRAAGUGF-NKWVEPMBSA-N

Chemical Structure

2D Structure

CAS: 7057-48-9

CID: 64975

Formula: C10H11N5O2

MW: 233.23

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	233.23
XLogP3	-0.4
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	2
Exact Mass	233.09127461
Monoisotopic Mass	233.09127461
Topological Polar Surface Area	99.1 Å²
Heavy Atom Count	17
Formal Charge	0
Complexity	313
Isotope Atom Count	0
Defined Atom Stereocenter Count	2
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
BIMN2033-01	3’- Amino-2’,3’-dideoxy-2-fluoroadenosine
OR1025541-01	2',3'-Dideoxy-5-Iodouridine
OR1032410	2',3'-Dideoxy-5-iodocytidine
BIMN2034	3’-Amino-2’,3’-dideoxy-2,6-diaminopurineriboside
OR1034315-01	7-Iodo-2',3'-dideoxy-7-deaza-guanosine
OR1035979-01	1,2-Dideoxy-D-ribofuranose
BICL5012-01	3-Acetamido-3,6-dideoxy-D-galactose
BICL2245-01	1,6-Anhydro-3,4-dideoxy-2,2- (ethylenedioxy) -ß-D-glycero-hex-3-enopyranose
BICL2054-01	1-Amino-1,2-dideoxy-scyllo-inositol
OR1077728	2-Acetamido-6-azido-2,6-dideoxy-D-glucopyranose

Catalog	Name
ND05186-01	2',3'-Dideoxy-2',3'-didehydroadenosine
421219-01	2’,3’-Dideoxy-2,3-didehydroadenosine
ND144874-01	2',3'-Dideoxy-2',3'-didehydrocytidine
296015-01	2',3'-Dideoxy-2',3'-didehydroinosine
ND06059-01	2',3'-Dideoxy-3'-fluoroguanosine
ND01970-01	2',3'-Dideoxy-3'-fluorocytidine
421221-01	2',3'-Dideoxy-3'-fluorouridine
MBS5826842	2',3'-Dideoxy-3'-fluoroadenosine
HY-152752	2’,3’-Dideoxy-3’-fluorocytidine
HY-154038	2′,3′-Dideoxy-3′-fluoroadenosine