2’-Deoxyisoguanosine

CAT: 0926-ND10029-01Size: 0.1 gDry Ice: NoHazardous: No

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CAT#:0926-ND10029-01Size:0.1 g

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CAS Number

106449-56-3

Synonyms

2’-Deoxy-1,2-dihydro-2-oxoadenosine;9- (2-Deoxy-b-D-ribofuranosyl) isoguanine

MDL Number

MFCD15145285

Smiles

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

Molecular Formula

C10H13N5O4

Molecular Weight

267.24 g/mol

Controlled

Chemical Information

2'-Deoxyisoguanosine

CAS Number	106449-56-3
PubChem CID	198689
IUPAC Name	6-amino-9-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1H-purin-2-one
Molecular Formula	C10H13N5O4
Molecular Weight	267.24
XLogP	-2
Topological Polar Surface Area	133
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	2
Heavy Atom Count	19
Formal Charge	0
Complexity	514

SMILES

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

InChI

InChI=1S/C10H13N5O4/c11-8-7-9(14-10(18)13-8)15(3-12-7)6-1-4(17)5(2-16)19-6/h3-6,16-17H,1-2H2,(H3,11,13,14,18)/t4-,5+,6+/m0/s1

InChIKey

SWFIFWZFCNRPBN-KVQBGUIXSA-N

Chemical Structure

2D Structure

CAS: 106449-56-3

CID: 198689

Formula: C10H13N5O4

MW: 267.24

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	267.24
XLogP3	-2
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	2
Exact Mass	267.09675391
Monoisotopic Mass	267.09675391
Topological Polar Surface Area	133 Å²
Heavy Atom Count	19
Formal Charge	0
Complexity	514
Isotope Atom Count	0
Defined Atom Stereocenter Count	3
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
AAA40737	2,2,2-Trifluoro-N- (2,2,2-trifluoroethyl) acetamide
WYB72229-01	2,2,2-Trifluoroethyl N- (2,2,2-trifluoroethyl) carbamate
IXB41367-01	(2,2-Dimethylpropyl) (2,2,2-trifluoroethyl) amine
FB15824-01	2,2-Bis (hydroxymethyl) -2,2',2''-nitrilotriethanol
AAC81537-01	2- (2,2,2-Trifluoroethoxy) propanenitrile
IGA88442-01	2- (2,2,2-Trifluoroethyl) benzaldehyde
KJD25151-01	2-Ethynylbicyclo[2.2.2]octane
HCA63104-01	2- (2,2,2-Trifluoroethyl) aniline
AAA46637	2,2,2-Triphenylacetophenone
FT80448-01	2,2,2-Trifluoroethanesulfonamide

Catalog	Name
TRC-D281570-10MG	2’-Deoxyisoguanosine
BIMN2012-01	2'-Deoxyisoguanosine
MBS5826500	N6-Dimethylaminomethylidene-2'-deoxyisoguanosine
HY-154297	N6-Dimethylamino methylidene-2’-deoxyisoguanosine
PC1003049-01	2,2,2-Trifluoroethyl 2,2,2-trichloroacetate
H 038-001	2'- , 2''-, 2''', 2'''', 2''''', 2''''''- Hexadeoxy- 2'-, 2'', 2''', 2'''', 2''''', 2''''''- hexafluoro- cyclic hexaadenosine monophosphate (2',2'',2''',2'''',2''''',2''''''-Hexa-F-c-hexadAMP / cFA6), sodium salt
PC32719-01	2,2,2,2'-Tetrafluoroacetophenone
OR1009873-01	2,2,2,2-Ethylenedinitrilotetraethanol
290342-01	2,2,2-Trifluoroethyl 2,5-bis (2,2,2-trifluoroethoxy) benzoate
TRC-T790240-50MG	2,2,2-Trifluoroethyl 2-Hydroxy-5-(2,2,2-trifluoroethoxy)benzoate