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Sucrose oleate

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Name

Sucrose oleate

EINECS 247-041-2
CAS No. 25496-92-8 Density 1.25 g/cm3
PSA N/A LogP N/A
Solubility N/A Melting Point N/A
Formula C30H54O12 Boiling Point 767.4 °C at 760 mmHg
Molecular Weight 606.74256 Flash Point 237.8 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 25496-92-8 (Sucrose oleate) Hazard Symbols N/A
Synonyms

[(2R,3R,4S,5S)-3,4-dihydroxy-5-(hydroxymethyl)-5-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-oxolan-2-yl]methyl (Z)-octadec-9-enoate;

 

Sucrose oleate Specification

The Sucrose oleate, with the CAS registry number 25496-92-8, is also known as β-D-Fructofuranosyl α-D-glucopyranoside mono[(Z)-9-octadecenoate]. This chemical's molecular formula is C30H54O12 and molecular weight is 606.74256. Its EINECS registry number is 247-041-2. What's more, its IUPAC name is [(2R,3S,4S,5S)-3,4-Dihydroxy-5-(hydroxymethyl)-5-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxolan-2-yl]methyl (Z)-octadec-9-enoate. 

Physical properties about Sucrose oleate are: (1)ACD/LogP: 4.79; (2)#of Rule of 5 Violations: 3; (3)ACD/LogD (pH 5.5): 4.79; (4)ACD/LogD (pH 7.4): 4.79; (5)ACD/BCF (pH 5.5): 2565.11; (6)ACD/BCF (pH 7.4): 2565.08; (7)ACD/KOC (pH 5.5): 9590.34; (8)ACD/KOC (pH 7.4): 9590.22; (9)#H bond acceptors: 12; (10)#H bond donors: 7; (11)#Freely Rotating Bonds: 29; (12)Polar Surface Area: 195.6 Å2; (13)Index of Refraction: 1.554; (14)Molar Refractivity: 154.44 cm3; (15)Molar Volume: 481.7 cm3; (16)Polarizability: 61.22×10-24cm3; (17)Surface Tension: 60.9 dyne/cm; (18)Density: 1.25 g/cm3; (19)Flash Point: 237.8 °C; (20)Enthalpy of Vaporization: 127.42 kJ/mol; (21)Boiling Point: 767.4 °C at 760 mmHg; (22)Vapour Pressure: 3.45E-27 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: CCCCCCCC\C=C/CCCCCCCC(=O)O[C@H]2[C@H](O)[C@@H](CO)O[C@]2(O[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)CO
(2) InChI: InChI=1/C30H54O12/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-23(34)40-28-25(36)22(19-32)41-30(28,20-33)42-29-27(38)26(37)24(35)21(18-31)39-29/h9-10,21-22,24-29,31-33,35-38H,2-8,11-20H2,1H3/b10-9-/t21-,22-,24-,25-,26+,27-,28+,29-,30+/m1/s1
(3) InChIKey: RXPVKDYJCZHCRI-JSJITEFIBV

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