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23590-99-0

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Basic Information
CAS No.: 23590-99-0
Name: INOSINE, PERIODATE OXIDIZED
Molecular Structure:
Molecular Structure of 23590-99-0 (INOSINE, PERIODATE OXIDIZED)
Formula: C10H10 N4 O5
Molecular Weight: 266.213
Synonyms: 9H-Purine-9-acetaldehyde,a-(1-formyl-2-hydroxyethoxy)-1,6-dihydro-6-oxo-,(R,R)- (8CI); 9H-Purine-9-acetaldehyde, a-(1-formyl-2-hydroxyethoxy)-1,6-dihydro-6-oxo-,[R-(R*,R*)]-; Diglycoaldehyde; Inosine dialdehyde; Inox; NSC 118994; Ribox
Density: 1.69 g/cm3
Melting Point: 148-150 °C(Solv: ethanol (64-17-5))
Boiling Point: 574.4 °C at 760 mmHg
Flash Point: 301.2 °C
Hazard Symbols: Moderately toxic.
Safety: Moderately toxic by intravenous route.Mutation data reported. When heated to decomposition it emits toxic vapors of NOx.
PSA: 127.17000
LogP: -1.60650
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Chemistry

Molecular Structure of Inosine dialdehyde (CAS NO. 23590-99-0):

IUPAC Name: (2S)-3-Hydroxy-2-[(1S)-2-oxo-1-(6-oxo-3H-purin-9-yl)ethoxy]propanal 
Molecular Formula: C10H10N4O5
Molecular Weight: 266.210200 g/mol
XLogP3-AA: -2
H-Bond Donor: 2
H-Bond Acceptor: 7
Canonical SMILES: C1=NC(=O)C2=C(N1)N(C=N2)C(C=O)OC(CO)C=O
Isomeric SMILES: C1=NC(=O)C2=C(N1)N(C=N2)[C@H](C=O)O[C@@H](CO)C=O
InChI: 1S/C10H10N4O5/c15-1-6(2-16)19-7(3-17)14-5-13-8-9(14)11-4-12-10(8)18/h1,3-7,16H,2H2,(H,11,12,18)/t6-,7+/m1/s1
InChIKey: RGWOFTGZWJGPHG-RQJHMYQMSA-N
Index of Refraction: 1.71
Molar Refractivity: 61.44 cm3
Molar Volume: 157.1 cm3
Surface Tension: 77.3 dyne/cm
Density: 1.69 g/cm3
Flash Point: 301.2 °C
Enthalpy of Vaporization: 90.54 kJ/mol
Boiling Point: 574.4 °C at 760 mmHg
Vapour Pressure: 4.9E-14 mmHg at 25 °C
Water Solubility of Inosine dialdehyde (CAS NO. 23590-99-0): 1e+006 mg/L at 25 °C

Toxicity Data With Reference

1.    

dni-rat-oth 830 µmol/L

     CNREA8    Cancer Research. 37 (1977),2188.
2.    

uns-rat-oth 830 µmol/L

     CNREA8    Cancer Research. 37 (1977),2188.
3.    

dni-mus-lym 1 mmol/L

     BCPCA6    Biochemical Pharmacology. 34 (1985),1717.
4.    

uns-mus-lym 1 mmol/L

     BCPCA6    Biochemical Pharmacology. 34 (1985),1717.
5.    

ivn-mus LD50:567 mg/kg

     NTIS**    National Technical Information Service. (Springfield, VA 22161) (Formerly U.S. Clearinghouse for Scientific and Technical Information) PB82-166125 .

Safety Profile

Moderately toxic by intravenous route.Mutation data reported. When heated to decomposition it emits toxic vapors of NOx.

Specification

  Inosine dialdehyde with cas registry number of 23590-99-0 is also known as (R,R)-alpha-(1-Formyl-2-hydroxyethoxy)-1,6-dihydro-6-oxo-9H-purine-9-acetaldehyde ; 9H-Purine-9-acetaldehyde, alpha-(1-formyl-2-hydroxyethoxy)-1,6-dihydro-6-oxo-, (R,(R*,R*))- ; 9H-Purine-9-acetaldehyde, alpha-(1-formyl-2-hydroxyethoxy)-1,6-dihydro-6-oxo-, (R,R)- ; alpha-(Hydroxymethyl)-alpha'-(6-hydroxy-9H-purin-9-yl) diglycolaldehyde ; Diglycoaldehyde ; INOX ; NSC 118994 .