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65729-83-1

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Basic Information
CAS No.: 65729-83-1
Name: 4-O-ACETYL-2,5-ANHYDRO-1,3-O-ISOPROPYLIDENE-6-O-TRITYL-D-GLUCITOL
Molecular Structure:
Molecular Structure of 65729-83-1 (4-O-ACETYL-2,5-ANHYDRO-1,3-O-ISOPROPYLIDENE-6-O-TRITYL-D-GLUCITOL)
Formula: C30H32O6
Molecular Weight: 488.58
Synonyms: 4-O-Acetyl-2, 5-anhydro-1, 3-O-isopropylidene-6-O-trityl-D-glucitol;
Density: 1.23 g/cm3
Melting Point: 123-125oC
Boiling Point: 574.904 °C at 760 mmHg
Flash Point: 243.131 °C
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Specification

The D-Glucitol, 2, 5-anhydro-1, 3-O-(1-methylethylidene)-6-O-(triphenylmethyl)-, acetate (9CI), with the CAS registry number 65729-83-1, is also known as 4-O-Acetyl-2, 5-anhydro-1, 3-O-isopropylidene-6-O-trityl-D-glucitol. This chemical's molecular formula is C30H32O6 and molecular weight is 488.58. What's more, its systematic name is [(4aS, 6R, 7S, 7aS)-2, 2-Dimethyl-6-(trityloxymethyl)-4a, 6, 7, 7a-tetrahydro-4H-furo[3, 2-d][1, 3]dioxin-7-yl] acetate.

Physical properties about D-Glucitol, 2, 5-anhydro-1, 3-O-(1-methylethylidene)-6-O-(triphenylmethyl)-, acetate (9CI) are: (1)ACD/LogP: 5.63; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 5.63; (4)ACD/LogD (pH 7.4): 5.63; (5)ACD/BCF (pH 5.5): 11189.225; (6)ACD/BCF (pH 7.4): 11189.225; (7)ACD/KOC (pH 5.5): 27524.545; (8)ACD/KOC (pH 7.4): 27524.545; (9)#H bond acceptors: 6; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 8; (12)Polar Surface Area: 63.22 Å2; (13)Index of Refraction: 1.603; (14)Molar Refractivity: 136.408 cm3; (15)Molar Volume: 397.295 cm3; (16)Polarizability: 54.076×10-24 cm3; (17)Surface Tension: 51.53 dyne/cm; (18)Density: 1.23 g/cm3; (19)Flash Point: 243.131 °C; (20)Enthalpy of Vaporization: 86.122 kJ/mol; (21)Boiling Point: 574.904 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: CC(=O)O[C@H]1[C@H](O[C@@H]2[C@@H]1OC(OC2)(C)C)COC(c3ccccc3)(c4ccccc4)c5ccccc5
(2) InChI: InChI=1/C30H32O6/c1-21(31)34-27-25(35-26-19-32-29(2,3)36-28(26)27)20-33-30(22-13-7-4-8-14-22,23-15-9-5-10-16-23)24-17-11-6-12-18-24/h4-18,25-28H,19-20H2,1-3H3/t25-,26+,27+,28+/m1/s1
(3) InChIKey: SOENFNIYAKGMHW-UNFRKHOWBW