CAS No.42867-68-5,2',3'-Dideoxy-2',3'-didehydroinosine Suppliers

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Basic Information

Molecular Structure:
CAS No.:	42867-68-5
Name:	2',3'-Dideoxy-2',3'-didehydroinosine
Article Data:	10

Formula:	C₁₀H₁₀N₄O₃
Molecular Weight:	234.214
Synonyms:	9-[(2R,5S)-5-(Hydroxymethyl)-2,5-dihydrofuran-2-yl]-9H-purin-6-ol;9H-purin-6-ol, 9-[(2R,5S)-2,5-dihydro-5-(hydroxymethyl)-2-furanyl]-;Inosine, 2',3'-didehydro-2',3'-dideoxy-;
Density:	1.74 g/cm³
Boiling Point:	604.8°C at 760 mmHg
Flash Point:	319.6 °C
PSA:	93.03000
LogP:	-0.43450

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Specification

The 2',3'-Dideoxy-2',3'-didehydroinosine, with CAS registry number 42867-68-5, has the systematic name of 9-[(2R,5S)-5-(hydroxymethyl)-2,5-dihydrofuran-2-yl]-3,9-dihydro-6H-purin-6-one. And its IUPAC name is the same one. Besides this, it is also named 9H-purin-6-ol, 9-[(2R,5S)-2,5-dihydro-5-(hydroxymethyl)-2-furanyl]-.

Physical properties about this chemical are: (1)# of Rule of 5 Violations: 0; (2)ACD/LogD (pH 5.5): -2.7; (3)ACD/LogD (pH 7.4): -2.91; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 1; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 7; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 3; (11)Polar Surface Area: 68.95 Å²; (12)Index of Refraction: 1.797; (13)Molar Refractivity: 57.19 cm³; (14)Molar Volume: 134 cm³; (15)Polarizability: 22.67×10^-24cm³; (16)Surface Tension: 79.1 dyne/cm; (17)Enthalpy of Vaporization: 94.56 kJ/mol; (18)Vapour Pressure: 1.77E-15 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C2/N=C\Nc1n(cnc12)[C@@H]/3O[C@@H](\C=C\3)CO
(2)InChI: InChI=1/C10H10N4O3/c15-3-6-1-2-7(17-6)14-5-13-8-9(14)11-4-12-10(8)16/h1-2,4-7,15H,3H2,(H,11,12,16)/t6-,7+/m0/s1
(3)InChIKey: TYQPBHYPIRLWKU-NKWVEPMBBN
(4)Std. InChI: InChI=1S/C10H10N4O3/c15-3-6-1-2-7(17-6)14-5-13-8-9(14)11-4-12-10(8)16/h1-2,4-7,15H,3H2,(H,11,12,16)/t6-,7+/m0/s1
(5)Std. InChIKey: TYQPBHYPIRLWKU-NKWVEPMBSA-N