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25339-93-9

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Basic Information
CAS No.: 25339-93-9
Name: MANNIDE MONOOLEATE
Molecular Structure:
Molecular Structure of 25339-93-9 (MANNIDE MONOOLEATE)
Formula: C24H44O7
Molecular Weight: 428.6
Synonyms: dianhydro-,mono-9-octadecenoate,(z)-d-mannito;mannide;MANNIDE MONOOLEATE;ARLACEL;Arlacel A;ARLACEL(R) A;dianhydro-D-mannitol monooleate;D-Mannitol, dianhydro-, mono-(9Z)-9-octadecenoate
EINECS: 246-872-8
Density: 1.11 g/cm3
Boiling Point: 573 °C at 760 mmHg
Flash Point: 182.6 °C
Solubility: soluble in water
Appearance: Clear yellow to brown liquid.
PSA: 96.22000
LogP: 4.04860
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Specification

The Dianhydromannitol monooleate, with CAS registry number 25339-93-9, has the systematic name of 1-O-[(9Z)-octadec-9-enoyl]-D-glucopyranose. This chemical is a kind of clear yellow to brown liquid. And it should be stored in a cool, dry place. The chemical formula of this chemical is C24H44O7.

Physical properties of Dianhydromannitol monooleate: (1)ACD/LogP: 7.03; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 7.03; (4)ACD/LogD (pH 7.4): 7.03; (5)ACD/BCF (pH 5.5): 130393.18; (6)ACD/BCF (pH 7.4): 130391.61; (7)ACD/KOC (pH 5.5): 159616.16; (8)ACD/KOC (pH 7.4): 159614.22; (9)#H bond acceptors: 7; (10)#H bond donors: 4; (11)#Freely Rotating Bonds: 22; (12)Polar Surface Area: 116.45 Å2; (13)Index of Refraction: 1.518; (14)Molar Refractivity: 120.67 cm3; (15)Molar Volume: 398.2 cm3; (16)Polarizability: 47.83×10-24cm3; (17)Surface Tension: 48.9 dyne/cm; (18)Density: 1.11 g/cm3; (19)Flash Point: 182.6 °C; (20)Enthalpy of Vaporization: 98.63 kJ/mol; (21)Boiling Point: 573 °C at 760 mmHg; (22)Vapour Pressure: 1.63E-15 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OC1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)CCCCCCC/C=C\CCCCCCCC
(2)InChI: InChI=1/C24H44O7/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20(26)31-24-23(29)22(28)21(27)19(18-25)30-24/h9-10,19,21-25,27-29H,2-8,11-18H2,1H3/b10-9-/t19-,21-,22+,23-,24?/m1/s1
(3)InChIKey: LUXUAZKGQZPOBZ-DJWGODSSBQ
(4)Std. InChI: InChI=1S/C24H44O7/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20(26)31-24-23(29)22(28)21(27)19(18-25)30-24/h9-10,19,21-25,27-29H,2-8,11-18H2,1H3/b10-9-/t19-,21-,22+,23-,24?/m1/s1
(5)Std. InChIKey: LUXUAZKGQZPOBZ-DJWGODSSSA-N