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| CAS No.: | 94139-17-0 |
|---|---|
| Name: | Sucrose tetramyristate |
| Molecular Structure: | |
 |
|
| Formula: | C68H126O15 |
| Molecular Weight: | 1183.71904 |
| Synonyms: | sucrose tetramyristate |
| EINECS: | 303-033-1 |
| Density: | 1.06g/cm3 |
| Boiling Point: | 1026 °C at 760 mmHg |
| Flash Point: | 251.5 °C |
| PSA: | 213.81000 |
| LogP: | 15.61240 |
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Specification
The CAS register number of Sucrose tetramyristate is 94139-17-0. The IUPAC name about this chemical is [(2R,3R,4S,5S)-3,4-di(tetradecanoyloxy)-5-(tetradecanoyloxymethyl)-5-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxolan-2-yl]methyl tetradecanoate. The molecular formula about this chemical is C68H126O15 and the molecular weight is 1183.71904.
Physical properties about Sucrose tetramyristate are: (1)ACD/LogP: 26.00; (2)# of Rule of 5 Violations: 3; (3)ACD/LogD (pH 5.5): 26; (4)ACD/LogD (pH 7.4): 26 ; (5)#H bond acceptors: 15; (6)#H bond donors: 4; (7)#Freely Rotating Bonds: 65; (8)Polar Surface Area: 213.81 Å2; (9)Index of Refraction: 1.508; (10)Molar Refractivity: 331.48 cm3; (11)Molar Volume: 1111.1 cm3; (12)Polarizability: 131.41x10-24cm3; (13)Surface Tension: 46.8 dyne/cm; (14)Density: 1.06 g/cm3; (15)Flash Point: 251.5 °C; (16)Enthalpy of Vaporization: 169.76 kJ/mol; (17)Boiling Point: 1026 °C at 760 mmHg.
You can still convert the following datas into molecular structure:
(1)SMILES: CCCCCCCCCCCCCC(=O)O[C@H]1[C@H](O[C@H](CO)[C@@H](O)[C@@H]1OC(=O)CCCCCCCCCCCCC)O[C@]2(CO)O[C@H](CO)[C@@H](OC(=O)CCCCCCCCCCCCC)[C@@H]2OC(=O)CCCCCCCCCCCCC
(2)InChI: InChI=1/C68H126O15/c1-5-9-13-17-21-25-29-33-37-41-45-49-58(72)78-63-57(54-70)82-68(55-71,66(63)81-61(75)52-48-44-40-36-32-28-24-20-16-12-8-4)83-67-65(80-60(74)51-47-43-39-35-31-27-23-19-15-11-7-3)64(62(76)56(53-69)77-67)79-59(73)50-46-42-38-34-30-26-22-18-14-10-6-2/h56-57,62-67,69-71,76H,5-55H2,1-4H3/t56-,57-,62-,63-,64+,65-,66+,67-,68+/m1/s1
(3)InChIKey: ZSORDERBHACQQH-PTUKTWBEBB
(4)Std. InChI: InChI=1S/C68H126O15/c1-5-9-13-17-21-25-29-33-37-41-45-49-58(72)78-63-57(54-70)82-68(55-71,66(63)81-61(75)52-48-44-40-36-32-28-24-20-16-12-8-4)83-67-65(80-60(74)51-47-43-39-35-31-27-23-19-15-11-7-3)64(62(76)56(53-69)77-67)79-59(73)50-46-42-38-34-30-26-22-18-14-10-6-2/h56-57,62-67,69-71,76H,5-55H2,1-4H3/t56-,57-,62-,63-,64+,65-,66+,67-,68+/m1/s1
(5)Std. InChIKey: ZSORDERBHACQQH-PTUKTWBESA-N