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CAS No.: | 25878-60-8 |
---|---|
Name: | D-Galactopyranose pentaacetate |
Article Data: | 10 |
Molecular Structure: | |
Formula: | C16H22O11 |
Molecular Weight: | 390.344 |
Synonyms: | D-Galactopyranose,pentaacetate (9CI);Galactopyranose, pentaacetate, D- (8CI);1,2,3,4,6-Penta-O-acetyl-D-galactopyranose;1,2,3,4,6-penta-O-acetylgalactopyranose;1,2,3,4,6-Penta-O-acetyl-D-galactopyranoside; |
Density: | 1.3 g/cm3 |
Melting Point: | 113°C |
Boiling Point: | 434.8 °C at 760 mmHg |
Flash Point: | 188.1 °C |
Hazard Symbols: | T,N |
Risk Codes: | R23/24/25; R40; R48/23/24; R51/53 |
PSA: | 140.73000 |
LogP: | -0.36740 |
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The D-Galactopyranose pentaacetate, with the CAS registry number 25878-60-8, has the systematic name of 1,2,3,4,6-penta-O-acetyl-D-galactopyranose. It is a kind of organics, and should be stored in the dry and cool environment. And the molecular formula of the chemical is C16H22O11.
The characteristics of D-Galactopyranose pentaacetate are as followings: (1)ACD/LogP: 1.68; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 1.68; (4)ACD/LogD (pH 7.4): 1.68; (5)ACD/BCF (pH 5.5): 11.15; (6)ACD/BCF (pH 7.4): 11.15; (7)ACD/KOC (pH 5.5): 195.56; (8)ACD/KOC (pH 7.4): 195.56; (9)#H bond acceptors: 11; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 11; (12)Polar Surface Area: 140.73 Å2; (13)Index of Refraction: 1.482; (14)Molar Refractivity: 85 cm3; (15)Molar Volume: 298 cm3; (16)Polarizability: 33.69×10-24cm3; (17)Surface Tension: 46.7 dyne/cm; (18)Density: 1.3 g/cm3; (19)Flash Point: 188.1 °C; (20)Enthalpy of Vaporization: 69.09 kJ/mol; (21)Boiling Point: 434.8 °C at 760 mmHg; (22)Vapour Pressure: 9.23E-08 mmHg at 25°C.
Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: O=C(OC1O[C@@H]([C@H](OC(=O)C)[C@H](OC(=O)C)[C@H]1OC(=O)C)COC(=O)C)C
(2)InChI: InChI=1/C16H22O11/c1-7(17)22-6-12-13(23-8(2)18)14(24-9(3)19)15(25-10(4)20)16(27-12)26-11(5)21/h12-16H,6H2,1-5H3/t12-,13+,14+,15-,16?/m1/s1
(3)InChIKey: LPTITAGPBXDDGR-RRMRAIHUBY