-
Name
L-Allose
- EINECS 231-565-3
- CAS No. 7635-11-2
- Article Data75
- CAS DataBase
- Density 1.581 g/cm3
- Solubility very soluble in water
- Melting Point 127-129 °C
- Formula C6H12O6
- Boiling Point 527.1 °C at 760 mmHg
- Molecular Weight 180.158
- Flash Point 286.7 °C
- Transport Information
- Appearance off-white fluffy crystalline powder
- Safety 24/25
- Risk Codes
-
Molecular Structure
- Hazard Symbols
- Synonyms Allose, L-(8CI);
- PSA 118.22000
- LogP -3.37880
L-Allose Specification
The L-Allose is an organic compound with the formula C6H12O6. The IUPAC name of this chemical is (2S,3S,4S,5S)-2,3,4,5,6-pentahydroxyhexanal. With the CAS registry number 7635-11-2, it is also named as aldehydo-L-allo-hexose. The product's categories are Carbohydrate Synthesis; Monosaccharides; Specialty Synthesis. Besides, it is an off-white fluffy crystalline powder, which should be stored in a closed cool and dry place.
Physical properties about L-Allose are: (1)ACD/LogP: -3.17; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): -3.17; (4)ACD/LogD (pH 7.4): -3.17; (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: 6; (10)#H bond donors: 5; (11)#Freely Rotating Bonds: 10; (12)Polar Surface Area: 63.22 Å2; (13)Index of Refraction: 1.573; (14)Molar Refractivity: 37.54 cm3; (15)Molar Volume: 113.9 cm3; (16)Polarizability: 14.88×10-24cm3; (17)Surface Tension: 92 dyne/cm; (18)Density: 1.581 g/cm3; (19)Flash Point: 286.7 °C; (20)Enthalpy of Vaporization: 92.22 kJ/mol; (21)Boiling Point: 527.1 °C at 760 mmHg; (22)Vapour Pressure: 2.59E-13 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C[C@@H](O)[C@@H](O)[C@@H](O)[C@@H](O)CO
(2)InChI: InChI=1/C6H12O6/c7-1-3(9)5(11)6(12)4(10)2-8/h1,3-6,8-12H,2H2/t3-,4+,5-,6+/m1/s1
(3)InChIKey: GZCGUPFRVQAUEE-MOJAZDJTBK
(4)Std. InChI: InChI=1S/C6H12O6/c7-1-3(9)5(11)6(12)4(10)2-8/h1,3-6,8-12H,2H2/t3-,4+,5-,6+/m1/s1
(5)Std. InChIKey: GZCGUPFRVQAUEE-MOJAZDJTSA-N
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