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CAS No.: | 51222-59-4 |
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Name: | ascorbyl monostearate |
Molecular Structure: | |
Formula: | C24H44O8 |
Molecular Weight: | 460.6014 |
Synonyms: | Ascorbyl Isostearate;Ascorbyl monostearate;(2R)-2-[(1S)-1,2-dihydroxyethyl]-4,5-dihydroxy-furan-3-one; octadecanoic acid;L-Ascorbic acid, octadecanoate;Ascorbylmonostearate;Ascorbyl stearate; |
Boiling Point: | 359.4 °C at 760 mmHg |
Flash Point: | 162.4 °C |
PSA: | 144.52000 |
LogP: | 4.92510 |
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The Ascorbic acid stearate, with the CAS registry number 51222-59-4, is also known as Octadecanoic acid - L-threo-hex-1-enofuranos-3-ulose (1:1). This chemical's molecular formula is C24H44O8 and molecular weight is 460.6014. What's more, its IUPAC name is called (2R)-2-[(1S)-1,2-Dihydroxyethyl]-4,5-dihydroxyfuran-3-one; octadecanoic acid.
Physical properties about Ascorbic acid stearate are: (1) ACD/LogP: 8.22; (2) # of Rule of 5 Violations: 1; (3) ACD/LogD (pH 5.5): 7.42; (4) ACD/LogD (pH 7.4): 5.63; (5) ACD/BCF (pH 5.5): 165268.91; (6) ACD/BCF (pH 7.4): 2651.33; (7) ACD/KOC (pH 5.5): 112327.87; (8) ACD/KOC (pH 7.4): 1802.02; (9) #H bond acceptors: 2; (10) #H bond donors: 1; (11) #Freely Rotating Bonds: 16; (12) Polar Surface Area: 26.3 Å2; (13) Flash Point: 162.4 °C; (14) Enthalpy of Vaporization: 63.84 kJ/mol; (15) Boiling Point: 359.4 °C at 760 mmHg; (16) Vapour Pressure: 8.58E-06 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: O=C1C(\O)=C(\O)O[C@@H]1[C@@H](O)CO.O=C(O)CCCCCCCCCCCCCCCCC
(2) InChI: InChI=1/C18H36O2.C6H8O6/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;7-1-2(8)5-3(9)4(10)6(11)12-5/h2-17H2,1H3,(H,19,20);2,5,7-8,10-11H,1H2/t;2-,5+/m.0/s1
(3) InChIKey: AZSWYBLJPWSTIX-MGMRMFRLBH