9H-Purin-6-amine,9-(2,3-dideoxy-2-fluoro-b-D-threo-pentofuranosyl)- supplier

Name
9-(2,3-DIDEOXY-2-FLUORO-ALPHA-D-THREOPENTOFURANOSYL)-ADENINE
EINECS
CAS No. 110143-10-7
Article Data18
CAS DataBase
Density 1.85 g/cm³
Solubility
Melting Point 227℃
Formula C₁₀H₁₂FN₅O₂
Boiling Point 541.3 °C at 760 mmHg
Molecular Weight 253.236
Flash Point 281.2 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 2'-F-dd-ara-A;Lodenosine;2'-FddA;2'-beta-Fluoro-2',3'-dideoxyadenosine;9-(2,3-Dideoxy-2-fluoro-beta-D-threo-pentofuranosyl) adenine;9-(2,3-Dideoxy-2-fluoro-beta-D-threo-pentofuranosyl)-9H-purin-6-amine;CCRIS 9418;DRG-0246;UNII-3WB2LGT4R1;NSC 613792;Fdda;
PSA 99.08000
LogP 0.60760

9H-Purin-6-amine,9-(2,3-dideoxy-2-fluoro-b-D-threo-pentofuranosyl)- Specification

The 9H-Purin-6-amine,9-(2,3-dideoxy-2-fluoro-b-D-threo-pentofuranosyl)- with CAS registry number of 110143-10-7 is also known as Lodenosine. The IUPAC name is [(2S,4S,5R)-5-(6-Aminopurin-9-yl)-4-fluorooxolan-2-yl]methanol. In addition, the formula is C₁₀H₁₂FN₅O₂ and the molecular weight is 253.23.

Physical properties about 9H-Purin-6-amine,9-(2,3-dideoxy-2-fluoro-b-D-threo-pentofuranosyl)- are: (1)ACD/LogP: -0.21; (2)ACD/LogD (pH 5.5): -0.22; (3)ACD/LogD (pH 7.4): -0.21; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 17.97; (7)ACD/KOC (pH 7.4): 18.23; (8)#H bond acceptors: 7; (9)#H bond donors: 3; (10)#Freely Rotating Bonds: 3; (11)Index of Refraction: 1.795; (12)Molar Refractivity: 58.12 cm³; (13)Molar Volume: 136.4 cm³; (14)Surface Tension: 74.9 dyne/cm; (15)Density: 1.85 g/cm³; (16)Flash Point: 281.2 °C; (17)Enthalpy of Vaporization: 86.21 kJ/mol; (18)Boiling Point: 541.3 °C at 760 mmHg; (19)Vapour Pressure: 1.5E-12 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
1. Canonical SMILES: C1C(OC(C1F)N2C=NC3=C2N=CN=C3N)CO
2. Isomeric SMILES: C1[C@H](O[C@H]([C@H]1F)N2C=NC3=C2N=CN=C3N)CO
3. InChI: InChI=1S/C10H12FN5O2/c11-6-1-5(2-17)18-10(6)16-4-15-7-8(12)13-3-14-9(7)16/h3-6,10,17H,1-2H2,(H2,12,13,14)/t5-,6-,10+/m0/s1
4. InChIKey: KBEMFSMODRNJHE-JFWOZONXSA-N

Product Name

9-(2,3-DIDEOXY-2-FLUORO-ALPHA-D-THREOPENTOFURANOSYL)-ADENINE

9H-Purin-6-amine,9-(2,3-dideoxy-2-fluoro-b-D-threo-pentofuranosyl)- Specification

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