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Basic Information
CAS No.: 24863-90-9
Name: C 76
Molecular Structure:
Molecular Structure of 24863-90-9 (C 76)
Formula: C76H146O15
Molecular Weight: 1299.99
Synonyms: Octadecanoicacid, 3-hydroxy-2-tetradecyl-, 6,6'-diester with trehalose (6CI);Trehalose,6,6'-bis((2R,3R)-3-hydroxy-2-tetradecyloctadecanoate) (8CI);a-D-Glucopyranoside,6-O-(3-hydroxy-1-oxo-2-tetradecyloctadecyl)-a-D-glucopyranosyl,6-(3-hydroxy-2-tetradecyloctadecanoate), [1(2R,3R),6(2R,3R)]-;6,6'-Dicorynomycoloyl trehalose;a-D-Glucopyranoside,6-O-[(2R,3R)-3-hydroxy-1-oxo-2-tetradecyloctadecyl]-a-D-glucopyranosyl,6-[(2R,3R)-3-hydroxy-2-tetradecyloctadecanoate];
Density: 1.06g/cm3
Boiling Point: 1135.2°Cat760mmHg
Flash Point: 272.5°C
PSA: 242.13000
LogP: 16.80380
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Chemistry

Molecular Structure of C 76 (CAS NO.24863-90-9):

IUPAC Name: [(2R,3S,4S,5R,6R)-3,4,5-Trihydroxy-6-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R)-3-hydroxy-2-tetradecyloctadecanoyl]oxymethyl]oxan-2-yl]oxyoxan-2-yl]methyl (2R,3R)-3-hydroxy-2-tetradecyloctadecanoate 
Molecular Weight: 1299.96344 [g/mol]
Molecular Formula: C76H146O15
XLogP3-AA: 24.9
H-Bond Donor: 8
H-Bond Acceptor: 15 
Index of Refraction: 1.517
Molar Refractivity: 370.81 cm3
Molar Volume: 1225 cm3
Surface Tension: 48.6 dyne/cm
Density: 1.06 g/cm3
Flash Point: 272.5 °C
Enthalpy of Vaporization: 189.05 kJ/mol
Boiling Point: 1135.2 °C at 760 mmHg
Vapour Pressure: 0 mmHg at 25 °C
SMILES: O=C(OC[C@H]2O[C@H](O[C@H]1O[C@@H]([C@@H](O)[C@H](O)[C@H]1O)COC(=O)[C@H](CCCCCCCCCCCCCC)[C@H](O)CCCCCCCCCCCCCCC)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](CCCCCCCCCCCCCC)[C@H](O)CCCCCCCCCCCCCCC
InChI: InChI=1/C76H146O15/c1-5-9-13-17-21-25-29-33-37-41-45-49-53-57-63(77)61(55-51-47-43-39-35-31-27-23-19-15-11-7-3)73(85)87-59-65-67(79)69(81)71(83)75(89-65)91-76-72(84)70(82)68(80)66(90-76)60-88-74(86)62(56-52-48-44-40-36-32-28-24-20-16-12-8-4)64(78)58-54-50-46-42-38-34-30-26-22-18-14-10-6-2/h61-72,75-84H,5-60H2,1-4H3/t61-,62-,63-,64-,65-,66-,67-,68-,69+,70+,71-,72-,75-,76-/m1/s1
InChIKey: LFRXCNXVZHVRSE-JEZACWOJBO

Specification

  C 76 (CAS NO.24863-90-9), its Synonyms are a-D-Glucopyranoside,6-O-[(2R,3R)-3-hydroxy-1-oxo-2-tetradecyloctadecyl]-a-D-glucopyranosyl,6-[(2R,3R)-3-hydroxy-2-tetradecyloctadecanoate] ; Trehalose,6,6'-bis((2R,3R)-3-hydroxy-2-tetradecyloctadecanoate) (8CI) ; Octadecanoicacid, 3-hydroxy-2-tetradecyl-, 6,6'-diester with trehalose (6CI) ; 6,6'-Dicorynomycoloyl trehalose ; 6,6'-Bis((2R,3R)-3-hydroxy-2-tetradecyloctadecanoate)-trehalose .