Product Name

  • Name

    GR 79236

  • EINECS
  • CAS No. 124555-18-6
  • Article Data5
  • CAS DataBase
  • Density 1.897 g/cm3
  • Solubility 12 mg/mL in water
  • Melting Point
  • Formula C15H21N5O5
  • Boiling Point 728.301 °C at 760 mmHg
  • Molecular Weight 351.362
  • Flash Point 394.262 °C
  • Transport Information
  • Appearance white solid
  • Safety 26-36
  • Risk Codes 22-36/37/38
  • Molecular Structure Molecular Structure of 124555-18-6 (GR 79236)
  • Hazard Symbols HarmfulXn
  • Synonyms Adenosine,N-(2-hydroxycyclopentyl)-, (1S-trans)-;GR 79236;GR 79236X;
  • PSA 145.78000
  • LogP -1.16390

Adenosine,N-[(1S,2S)-2-hydroxycyclopentyl]- 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

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