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1818-71-9

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Basic Information
CAS No.: 1818-71-9
Name: 2-HYDROXYADENOSINE
Article Data: 20
Molecular Structure:
Molecular Structure of 1818-71-9 (2-HYDROXYADENOSINE)
Formula: C10H13N5O5
Molecular Weight: 283.244
Synonyms: Adenosine, 1,2-dihydro-2-oxo- (9CI);Adenosine,2,3-dihydro-2-oxo-;2-Hydroxyadenosine;9-b-D-Ribofuranosylisoguanine;Crotonosid;Crotonoside;Isoguanine riboside;NSC 12161;9H-Purin-2-ol,6-amino-9-B-D-ribofuranosyl- (6CI);
Density: 2.25 g/cm3
Melting Point: 237-241 °C(Solv: water (7732-18-5))
Boiling Point: 831oC at 760 mmHg
Flash Point: 456.4oC
Safety: 24/25
PSA: 159.51000
LogP: -2.10550
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Chemistry

Molecule structure of Isoguanosine (CAS NO.1818-71-9):


IUPAC Name: 6-Amino-9-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1H-purin-2-one
Molecular Formula: C10H13N5O5
Molecular Weight: 283.24g/mol
Density: 2.25 g/cm3
Index of Refraction: 1.955
Molar Refractivity: 60.81 cm3
Molar Volume: 125.4 cm3
Surface Tension: 123.8 dyne/cm 
XLogP3-AA: -3
H-Bond Donor: 5
H-Bond Acceptor: 8
Rotatable Bond Count: 2
Tautomer Count: 9
Exact Mass: 283.091669
MonoIsotopic Mass: 283.091669
Topological Polar Surface Area: 153
Heavy Atom Count: 20 
Canonical SMILES: C1=NC2=C(NC(=O)N=C2N1C3C(C(C(O3)CO)O)O)N
InChI: InChI=1S/C10H13N5O5/c11-7-4-8(14-10(19)13-7)15(2-12-4)9-6(18)5(17)3(1-16)20-9/h2-3,5-6,9,16-18H,1H2,(H3,11,13,14,19)
InChIKey: MIKUYHXYGGJMLM-UHFFFAOYSA-N
Classification Code of Isoguanosine (CAS NO.1818-71-9): Mutation data

Toxicity Data With Reference

1.    

sce-hmn-lym 10 µmol/L

     MUREAV    Mutation Research. 403 (1998),223.

Safety Profile

Mutation data reported. When heated to decomposition it emits toxic vapors of NOx.

Specification

 Isoguanosine (CAS NO.1818-71-9) is also named as 1,2-Dihydro-2-oxoadenosine ; 2-Hydroxyadenosine ; 9H-Purin-2-ol, 6-amino-9-beta-D-ribofuranosyl- ; CCRIS 8240 ; Crotonosid ; Crotonoside ; Isoguanine riboside ; Isoguanine, 9-beta-D-ribofuranosyl- ; NSC 12161 ; 1,2-Dihydro-2-oxoadenosine ; Adenosine, 1,2-dihydro-2-oxo- .