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Inosine dialdehyde

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Name

Inosine dialdehyde

EINECS N/A
CAS No. 23590-99-0 Density 1.69 g/cm3
PSA 127.17000 LogP -1.60650
Solubility N/A Melting Point 148-150 °C(Solv: ethanol (64-17-5))
Formula C10H10 N4 O5 Boiling Point 574.4 °C at 760 mmHg
Molecular Weight 266.213 Flash Point 301.2 °C
Transport Information N/A Appearance N/A
Safety Moderately toxic by intravenous route.Mutation data reported. When heated to decomposition it emits toxic vapors of NOx. Risk Codes N/A
Molecular Structure Molecular Structure of 23590-99-0 (INOSINE, PERIODATE OXIDIZED) Hazard Symbols Moderately toxic.
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

 

Inosine dialdehyde Chemical Properties

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

Inosine dialdehyde 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 .

Inosine dialdehyde Safety Profile

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

Inosine dialdehyde 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 .

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