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L-Ascorbic acid, 2,6-dihexadecanoate

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Name

L-Ascorbic acid, 2,6-dihexadecanoate

EINECS
CAS No. 4218-81-9 Density 1.04 g/cm3
Solubility Melting Point 113 °C
Formula C38H68O8 Boiling Point 687 °C at 760 mmHg
Molecular Weight 652.94 Flash Point 193.6 °C
Transport Information Appearance
Safety Risk Codes
Molecular Structure Molecular Structure of 4218-81-9 (L-Ascorbic acid, 2,6-dihexadecanoate) Hazard Symbols
Synonyms

2,6-Di-O-palmitoyl-L-ascorbic Acid;L-Ascorbyl 2,6-dipalmitate;

 

L-Ascorbic acid, 2,6-dihexadecanoate Specification

The L-Ascorbic acid, 2,6-dihexadecanoate, with the CAS registry number 4218-81-9, is also known as L-Ascorbyl 2,6-dipalmitate. It belongs to the product categories of Biochemistry; Sugar Acids; Sugars; Vitamin Derivatives; Vitamins. This chemical's molecular formula is C38H68O8 and molecular weight is 652.94. What's more, its systematic name is (5R)-5-[(1S)-2-(hexadecanoyloxy)-1-hydroxyethyl]-4-hydroxy-2-oxo-2,5-dihydrofuran-3-yl hexadecanoate (non-preferred name). It is stable at common pressure and temperature, and it should be sealed and stored in a cool, ventilated and dry place. What's more, it should be protected from light.

Physical properties of L-Ascorbic acid, 2,6-dihexadecanoate are: (1)ACD/LogP: 13.97; (2)# of Rule of 5 Violations: 2; (3)ACD/LogD (pH 5.5): 10.97; (4)ACD/LogD (pH 7.4): 10.48; (5)ACD/BCF (pH 5.5): 1000000; (6)ACD/BCF (pH 7.4): 1000000; (7)ACD/KOC (pH 5.5): 939743; (8)ACD/KOC (pH 7.4): 307789.69; (9)#H bond acceptors: 8; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 36; (12)Polar Surface Area: 119.36 Å2; (13)Index of Refraction: 1.499; (14)Molar Refractivity: 184.02 cm3; (15)Molar Volume: 626 cm3; (16)Polarizability: 72.95×10-24cm3; (17)Surface Tension: 43.7 dyne/cm; (18)Density: 1.04 g/cm3; (19)Flash Point: 193.6 °C; (20)Enthalpy of Vaporization: 115.2 kJ/mol; (21)Boiling Point: 687 °C at 760 mmHg; (22)Vapour Pressure: 7.57E-22 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O/C1=C(\O)[C@H](OC1=O)[C@@H](O)COC(=O)CCCCCCCCCCCCCCC)CCCCCCCCCCCCCCC
(2)InChI: InChI=1S/C38H68O8/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-33(40)44-31-32(39)36-35(42)37(38(43)46-36)45-34(41)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h32,36,39,42H,3-31H2,1-2H3/t32-,36+/m0/s1
(3)InChIKey: TUYRNAGGIJZRNM-LBHUVFDKSA-N

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