CAS No.25878-60-8,D-Galactopyranose pentaacetate Suppliers

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Basic Information

Molecular Structure:
CAS No.:	25878-60-8
Name:	D-Galactopyranose pentaacetate
Article Data:	10

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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Specification

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