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CAS No.: | 53188-23-1 |
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Name: | beta-D-Fructose |
Molecular Structure: | |
Formula: | C6H12O6 |
Molecular Weight: | 180.16 |
Synonyms: | beta-Levulose;UNII-B986VTP17J;D(-)-Fructose;(2R,3S,4S,5R)-2,5-bis(hydroxymethyl)oxolane-2,3,4-triol; |
EINECS: | 200-333-3 |
Density: | 1.694 g/cm3 |
Boiling Point: | 440.1 °C at 760 mmHg |
Flash Point: | 220 °C |
PSA: | 118.22000 |
LogP: | -3.37720 |
The beta-d-Fructofuranose, with the CAS registry number 53188-23-1, is also known as D(-)-Fructose. This chemical's molecular formula is C6H12O6 and molecular weight is 180.16. What's more, its IUPAC name is (2R,3S,4S,5R)-2,5-bis(hydroxymethyl)oxolane-2,3,4-triol.
Physical properties of beta-d-Fructofuranose are: (1)ACD/LogP: -1.47; (2)# of Rule of 5 Violations: 1; (3)#H bond acceptors: 6; (4)#H bond donors: 5; (5)#Freely Rotating Bonds: 7; (6)Polar Surface Area: 55.38 Å2; (7)Index of Refraction: 1.616; (8)Molar Refractivity: 37.18 cm3; (9)Molar Volume: 106.2 cm3; (10)Polarizability: 14.74×10-24cm3; (11)Surface Tension: 94.5 dyne/cm; (12)Density: 1.694 g/cm3; (13)Flash Point: 220 °C; (14)Enthalpy of Vaporization: 80.46 kJ/mol; (15)Boiling Point: 440.1 °C at 760 mmHg; (16)Vapour Pressure: 1.36E-09 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C(C1C(C(C(O1)(CO)O)O)O)O
(2)Isomeric SMILES: C([C@@H]1[C@H]([C@@H]([C@](O1)(CO)O)O)O)O
(3)InChI: InChI=1S/C6H12O6/c7-1-3-4(9)5(10)6(11,2-8)12-3/h3-5,7-11H,1-2H2/t3-,4-,5+,6-/m1/s1
(4)InChIKey: RFSUNEUAIZKAJO-ARQDHWQXSA-N
The toxicity data is as follows:
Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
---|---|---|---|---|---|
mouse | LD50 | intraperitoneal | 14700mg/kg (14700mg/kg) | Pharmacology and Toxicology Vol. 64, Pg. 247, 1989. |