CAS No.124555-18-6,GR 79236 Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	124555-18-6
Name:	GR 79236
Article Data:	5

Formula:	C₁₅H₂₁N₅O₅
Molecular Weight:	351.362
Synonyms:	Adenosine,N-(2-hydroxycyclopentyl)-, (1S-trans)-;GR 79236;GR 79236X;
Density:	1.897 g/cm³
Boiling Point:	728.301 °C at 760 mmHg
Flash Point:	394.262 °C
Solubility:	12 mg/mL in water
Appearance:	white solid
Hazard Symbols:	Xn
Risk Codes:	22-36/37/38
Safety:	26-36
PSA:	145.78000
LogP:	-1.16390

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Specification

The Adenosine, N-[(1S, 2S)-2-hydroxycyclopentyl]-, with the CAS registry number of 124555-18-6, is also known as N-((1S, trans)-2-Hydroxycyclopentyl)adenosine. This chemical's molecular formula is C₁₅H₂₁N₅O₅ and molecular weight is 351.36. What's more, its systematic name is called N-[(1S, 2S)-2-Hydroxycyclopentyl]adenosine. This chemical's classification codes are Antilipemic agents; Antimetabolites. Besides, it should be stored at 2-8 °C.

Physical properties about Adenosine, N-[(1S, 2S)-2-hydroxycyclopentyl]- are: (1)ACD/LogP: -0.24; (2)# of Rule of 5 Violations: 2; (3)ACD/LogD (pH 5.5): -2; (4)ACD/LogD (pH 7.4): -2; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 10; (10)#H bond donors: 5; (11)#Freely Rotating Bonds: 7; (12)Polar Surface Area: 145.78 Å²; (13)Index of Refraction: 1.846; (14)Molar Refractivity: 82.447 cm³; (15)Molar Volume: 185.245 cm³; (16)Surface Tension: 89.221 dyne/cm; (17)Density: 1.897 g/cm³; (18)Flash Point: 394.262 °C; (19)Enthalpy of Vaporization: 111.607 kJ/mol; (20)Boiling Point: 728.301 °C at 760 mmHg; (21)Vapour Pressure: 0 mmHg at 25 °C.

When you are using this chemical, please be cautious about it as the following:
As a chemical, it is irritating to eyes, respiratory system and skin. In addition, this chemical is harmful if swallowed. During using it, wear suitable protective clothing. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1) SMILES: n2c1c(ncnc1n(c2)[C@@H]3O[C@@H]([C@@H](O)[C@H]3O)CO)N[C@H]4CCC[C@@H]4O
(2) InChI: InChI=1/C15H21N5O5/c21-4-9-11(23)12(24)15(25-9)20-6-18-10-13(16-5-17-14(10)20)19-7-2-1-3-8(7)22/h5-9,11-12,15,21-24H,1-4H2,(H,16,17,19)/t7-,8-,9+,11+,12+,15+/m0/s1
(3) InChIKey: GYWXTRVEUURNEW-TVDBPQCTBA