3'-Deoxyinosine

CAT: 0024-sc-500389Size: 25 mgDry Ice: NoHazardous: No

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CAT#:0024-sc-500389Size:25 mg

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CAS Number

13146-72-0

Chemical Information

3'-Deoxyinosine

3'-deoxyinosine is a purine 3'-deoxyribonucleoside that is inosine in which the hydroxy group at position 3' is replaced by a hydrogen.

CAS Number	13146-72-0
PubChem CID	135513783
IUPAC Name	9-[(2R,3R,5S)-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1H-purin-6-one
Molecular Formula	C10H12N4O4
Molecular Weight	252.23
XLogP	-1.7
Topological Polar Surface Area	109
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	2
Heavy Atom Count	18
Formal Charge	0
Complexity	377

SMILES

C1[C@H](O[C@H]([C@@H]1O)N2C=NC3=C2N=CNC3=O)CO

InChI

InChI=1S/C10H12N4O4/c15-2-5-1-6(16)10(18-5)14-4-13-7-8(14)11-3-12-9(7)17/h3-6,10,15-16H,1-2H2,(H,11,12,17)/t5-,6+,10+/m0/s1

InChIKey

RPZDLTVHZJHPAW-BAJZRUMYSA-N

Chemical Structure

2D Structure

CAS: 13146-72-0

CID: 135513783

Formula: C10H12N4O4

MW: 252.23

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	252.23
XLogP3	-1.7
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	2
Exact Mass	252.08585488
Monoisotopic Mass	252.08585488
Topological Polar Surface Area	109 Å²
Heavy Atom Count	18
Formal Charge	0
Complexity	377
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
sc-216293A	2'-Deoxyinosine
sc-216293	2'-Deoxyinosine
sc-214066	2'-Deoxyinosine 5'-monophosphate disodium salt
sc-214066A	2'-Deoxyinosine 5'-monophosphate disodium salt
sc-472685	5'-O- (4,4'-Dimethoxytrityl) -2'-deoxyinosine
sc-260433	3- (3,3,3-Trifluoropropyl) heptamethyltrisiloxane
sc-260433A	3- (3,3,3-Trifluoropropyl) heptamethyltrisiloxane
sc-261129	3,3,3-Trifluoropropionitrile
sc-347307A	3,3,3-trifluoropropanamide
sc-474290	3,3,3-Trimethoxypropanenitrile