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Cas Database |
| Name |
Isoguanosine |
EINECS | N/A |
| CAS No. | 1818-71-9 | Density | 2.25 g/cm3 |
| PSA | 159.51000 | LogP | -2.10550 |
| Solubility | N/A | Melting Point |
237-241 °C(Solv: water (7732-18-5)) |
| Formula | C10H13N5O5 | Boiling Point | 831oC at 760 mmHg |
| Molecular Weight | 283.244 | Flash Point | 456.4oC |
| Transport Information | N/A | Appearance | N/A |
| Safety | 24/25 | Risk Codes | N/A |
| Molecular Structure |
|
Hazard Symbols | N/A |
| 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); |
Article Data | 20 |
Isoguanosine Chemical Properties
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
Isoguanosine Toxicity Data With Reference
| 1. | sce-hmn-lym 10 µmol/L | MUREAV Mutation Research. 403 (1998),223. |
Isoguanosine Safety Profile
Mutation data reported. When heated to decomposition it emits toxic vapors of NOx.
Isoguanosine 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- .
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