2',3'-Anhydroinosine

CAT: 0926-NA17929Size: 250 mgDry Ice: NoHazardous: No

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CAT#:0926-NA17929Size:250 mg

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CAS Number

31766-13-9

Synonyms

9- (2,3-Anhydro-b-D-ribofuranosyl) -1,9-dihydro-6H-purin-6-one

Smiles

C1=NC2=C (C (=O) N1) N=CN2[C@H]3C4[C@H] (O4) [C@H] (O3) CO

Molecular Formula

C10H10N4O4

Molecular Weight

250.21 g/mol

Controlled

Chemical Information

2',3'-Anhydroinosine

CAS Number	31766-13-9
PubChem CID	135569030
IUPAC Name	9-[(1R,2R,4R,5R)-4-(hydroxymethyl)-3,6-dioxabicyclo[3.1.0]hexan-2-yl]-1H-purin-6-one
Molecular Formula	C10H10N4O4
Molecular Weight	250.21
XLogP	-1.7
Topological Polar Surface Area	101
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	2
Heavy Atom Count	18
Formal Charge	0
Complexity	417

SMILES

C1=NC2=C(C(=O)N1)N=CN2[C@H]3[C@H]4[C@H](O4)[C@H](O3)CO

InChI

InChI=1S/C10H10N4O4/c15-1-4-6-7(18-6)10(17-4)14-3-13-5-8(14)11-2-12-9(5)16/h2-4,6-7,10,15H,1H2,(H,11,12,16)/t4-,6-,7-,10-/m1/s1

InChIKey

WDIGUIIOGAEQHN-KQYNXXCUSA-N

Chemical Structure

2D Structure

CAS: 31766-13-9

CID: 135569030

Formula: C10H10N4O4

MW: 250.21

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	250.21
XLogP3	-1.7
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	2
Exact Mass	250.07020481
Monoisotopic Mass	250.07020481
Topological Polar Surface Area	101 Å²
Heavy Atom Count	18
Formal Charge	0
Complexity	417
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

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PRB91610-01	2- (2,2,3,3-Tetrafluoropropoxy) acetonitrile
ARB49574-01	2,2,3,3,3-Pentafluoropropyl carbonochloridate
ZJC69262-01	3-Oxo-3- (2,2,3,3-tetramethylcyclopropyl) propanenitrile
AAA75708-01	2- (2,2,3,3,3-Pentafluoropropoxy) ethan-1-ol
LGC61254-01	2-Amino-2- (2-ethoxyphenyl) -3,3,3-trifluoropropanoic acid

Catalog	Name
MBS6071229-01	2',3'-Anhydroinosine
PC450310	2,2,3,3,3-Pentafluoropropyl 2,2,3,3-tetrafluoropropyl carbonate
sc-260168	2,2,3,3,3-Pentafluoropropiophenone
sc-260169	2,2,3,3,3-Pentafluoropropylamine
PC3683-01	2- (2,2,3,3,3-Pentafluoropropoxymethyl) oxirane
PC4969	2,2,3,3,3-Pentafluoropropyl-2'-fluoroacrylate
sc-321959A	2,2,3,3,3-Pentafluoropropyltrifluoromethanesulfonate
PC450297	2,2,3,3,3-Pentafluoropropyl 2,2,2-trifluoroethyl carbonate
PC31768-01	2,3,3,3-Tetrafluoro-2- (1,1,2,2,3,3,3-heptafluoropropoxy) propanamide
PC450298	2,2-Difluoroethyl 2,2,3,3,3-pentafluoropropyl carbonate