Name: 7-ALLYL-7 8-DIHYDRO-8-OXOGUANOSINE 95
SKU: 121288-39-9

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Basic Information

Molecular Structure:
CAS No.:	121288-39-9
Name:	7-ALLYL-7 8-DIHYDRO-8-OXOGUANOSINE 95
Article Data:	5

Formula:	C₁₃H₁₇N₅O₆
Molecular Weight:	339.30
Synonyms:	7-Allyl-2-amino-9-beta-D-ribofuranosylpurine-6,8(1H,9H)-dione;Loxoribinum;RWJ 21757;UNII-9CAS0V66OI;Guanosine, 7,8-dihydro-8-oxo-7-(2-propenyl)-;7-Allyl-2-amino-9b-D-ribofuranosylpurine-6,8(1H,9H)-dione;7-Allyl-8-oxoguanosine;9-[(4S,2R,3R,5R)-3,4-Dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-amino-7-prop-2-enyl-1,7-dihydropurine-6,8-dione;7,8-Dihydro-8-oxo-7-(2-propenyl)guanosine;2-amino-9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-7-prop-2-enyl-3H-purine-6,8-dione;
Density:	1.92 g/cm³
Melting Point:	227-230 °C(lit.)
Boiling Point:	591.8 °C at 760 mmHg
Flash Point:	311.7 °C
PSA:	168.62000
LogP:	-2.15280

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Specification

The Guanosine,7,8-dihydro-8-oxo-7-(2-propen-1-yl)- with CAS registry number of 121288-39-9 is also known as Loxoribine. The IUPAC name is 2-Amino-9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-7-prop-2-enyl-3H-purine-6,8-dione. It belongs to product categories of Heterocyclic Compounds; Bases & Related Reagents; Heterocycles; Nucleotides; Oligonucleotide Synthesis; Specialty Synthesis. In addition, the formula is C₁₃H₁₇N₅O₆ and the molecular weight is 339.30. This chemical should be sealed in cool, dry place away from oxidants. What's more, it is used as small-molecule immunostimulant.

Physical properties about Guanosine,7,8-dihydro-8-oxo-7-(2-propen-1-yl)- are: (1)ACD/LogP: -1.81; (2)# of Rule of 5 Violations: 2; (3)ACD/LogD (pH 5.5): -1.81; (4)ACD/LogD (pH 7.4): -1.8; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 2.48; (8)ACD/KOC (pH 7.4): 2.48; (9)#H bond acceptors: 11; (10)#H bond donors: 6; (11)#Freely Rotating Bonds: 7; (12)Index of Refraction: 1.812; (13)Molar Refractivity: 76.2 cm³; (14)Molar Volume: 176.1 cm³; (15)Surface Tension: 92.8 dyne/cm; (16)Density: 1.92 g/cm³; (17)Flash Point: 311.7 °C; (18)Enthalpy of Vaporization: 101.3 kJ/mol; (19)Boiling Point: 591.8 °C at 760 mmHg; (20)Vapour Pressure: 1.81E-16 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
1. SMILES: O=C3/N=C(/N)NC\1=C3\N(C(=O)N/1[C@@H]2O[C@@H]([C@@H](O)[C@H]2O)CO)C\C=C
2. InChI: InChI=1/C13H17N5O6/c1-2-3-17-6-9(15-12(14)16-10(6)22)18(13(17)23)11-8(21)7(20)5(4-19)24-11/h2,5,7-8,11,19-21H,1,3-4H2,(H3,14,15,16,22)/t5-,7-,8-,11-/m1/s1
3. InChIKey: VDCRFBBZFHHYGT-IOSLPCCCBV
4. Std. InChI: InChI=1S/C13H17N5O6/c1-2-3-17-6-9(15-12(14)16-10(6)22)18(13(17)23)11-8(21)7(20)5(4-19)24-11/h2,5,7-8,11,19-21H,1,3-4H2,(H3,14,15,16,22)/t5-,7-,8-,11-/m1/s1
5. Std. InChIKey: VDCRFBBZFHHYGT-IOSLPCCCSA-N