8-Iodoadenosine

CAT: 0926-NI36298-04Size: 0.5 gDry Ice: NoHazardous: No

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CAT#:0926-NI36298-04Size:0.5 g

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CAS Number

31281-88-6

MDL Number

MFCD09833501

Smiles

C1=NC (=C2C (=N1) N (C (=N2) I) [C@H]3[C@@H] ([C@@H] ([C@H] (O3) CO) O) O) N

Molecular Formula

C10H12IN5O4

Molecular Weight

393.14 g/mol

Controlled

Chemical Information

(2R,3R,4S,5R)-2-(6-amino-8-iodo-9H-purin-9-yl)-5-(hydroxymethyl)tetrahydrofuran-3,4-diol

CAS Number	31281-88-6
PubChem CID	12803302
IUPAC Name	(2R,3R,4S,5R)-2-(6-amino-8-iodopurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol
Molecular Formula	C10H12IN5O4
Molecular Weight	393.14
XLogP	-0.4
Topological Polar Surface Area	140
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	2
Heavy Atom Count	20
Formal Charge	0
Complexity	367

SMILES

C1=NC(=C2C(=N1)N(C(=N2)I)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)N

InChI

InChI=1S/C10H12IN5O4/c11-10-15-4-7(12)13-2-14-8(4)16(10)9-6(19)5(18)3(1-17)20-9/h2-3,5-6,9,17-19H,1H2,(H2,12,13,14)/t3-,5-,6-,9-/m1/s1

InChIKey

CYOIMLAHGVOKIG-UUOKFMHZSA-N

Chemical Structure

2D Structure

CAS: 31281-88-6

CID: 12803302

Formula: C10H12IN5O4

MW: 393.14

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	393.14
XLogP3	-0.4
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	2
Exact Mass	392.99340
Monoisotopic Mass	392.99340
Topological Polar Surface Area	140 Å²
Heavy Atom Count	20
Formal Charge	0
Complexity	367
Isotope Atom Count	0
Defined Atom Stereocenter Count	4
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
NI04749-01	2-Iodoadenosine
NE06317-01	5'-Ethylcarboxamido-2-iodoadenosine
ND04751-01	5'-Deoxy-5'-iodoadenosine
ND09248-01	7-Deaza-7-iodoadenosine
ND06190-01	7-Deaza-2'-deoxy-7-iodoadenosine
ND44800-01	7-Deaza-2',3'-dideoxy-7-iodoadenosine
NB165219-01	5'-O-tert-Butyldiphenylsilyl-7-deaza-2'-deoxy-7-iodoadenosine
NB165192-01	5'-O-tert-Butyldimethylsilyl-7-deaza-2'-deoxy-7-iodoadenosine
NB137598-01	N6-Benzoyl-7-deaza-2'-deoxy-5'-O-DMT-7-iodoadenosine
NB165185-01	N6-Benzoyl-7-deaza-2'-deoxy-5'-O-tert-butyldimethylsilyl-7-iodoadenosine

Catalog	Name
MBS5825751	2-Iodoadenosine
BUP01738-01	2'-Deoxy-2-iodoadenosine
M37906-01	2-Deoxy-2-iodoadenosine
HY-154114-01	2′-Deoxy-2-iodoadenosine
296096-01	5'-Ethylcarboxamido-2-iodoadenosine
295732-01	5'-Deoxy-5'-iodoadenosine
295903-01	7-Deaza-7-iodoadenosine
MBS6106675-01	2-Iodoadenosine 2',3'-Acetonide
I8447-34C	2-Iodoadenosine 2’,3’-Acetonide
HY-W048490	7-Deaza-2'-deoxy-7-iodoadenosine