Forodesine supplier | CasNO.209799-67-7

Name
Forodesine
EINECS
CAS No. 209799-67-7
Article Data5
CAS DataBase
Density 2.01 g/cm³
Solubility
Melting Point
Formula C₁₁H₁₄N₄O₄
Boiling Point 613.5 °C at 760 mmHg
Molecular Weight 266.257
Flash Point 324.8 °C
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Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 4H-Pyrrolo[3,2-d]pyrimidin-4-one,7-[(2S,3S,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)-2-pyrrolidinyl]-1,5-dihydro-(9CI);Fodosine;Forodesine;Immucillin H;
PSA 134.26000
LogP -1.69300

Forodesine Specification

The Forodesine with the CAS number 209799-67-7 is also called 4H-Pyrrolo[3,2-d]pyrimidin-4-one,7-[(2S,3S,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)-2-pyrrolidinyl]-3,5-dihydro-. The systematic name is 7-[(2S,3S,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)pyrrolidin-2-yl]-1,5-dihydro-4H-pyrrolo[3,2-d]pyrimidin-4-one. Its molecular formula is C₁₁H₁₄N₄O₄.

The properties of the Forodesine are: (1)ACD/LogP: -3.45; (2)# of Rule of 5 Violations: 1; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 1; (6)ACD/KOC (pH 7.4): 1; (7)#H bond acceptors: 8; (8)#H bond donors: 6; (9)#Freely Rotating Bonds: 5; (10)Polar Surface Area: 68.53 Å²; (11)Index of Refraction: 1.894; (12)Molar Refractivity: 61.21 cm³; (13)Molar Volume: 132.1 cm3; (14)Polarizability: 24.26×10^-24cm³; (15)Surface Tension: 98.4 dyne/cm; (16)Enthalpy of Vaporization: 95.73 kJ/mol; (17)Vapour Pressure: 6.61×10^-16 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C1/N=C\Nc2c1ncc2[C@@H]3N[C@H](CO)[C@@H](O)[C@H]3O
(2)InChI: InChI=1/C11H14N4O4/c16-2-5-9(17)10(18)7(15-5)4-1-12-8-6(4)13-3-14-11(8)19/h1,3,5,7,9-10,12,15-18H,2H2,(H,13,14,19)/t5-,7+,9-,10+/m1/s1
(3)InChIKey: IWKXDMQDITUYRK-KUBHLMPHBW

Product Name

Forodesine

Forodesine Specification

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