CAS No.22415-91-4,ALPHA-D-GLUCOPYRANOSE PENTABENZOATE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	22415-91-4
Name:	ALPHA-D-GLUCOPYRANOSE PENTABENZOATE
Article Data:	90

Formula:	C₄₁H₃₂O₁₁
Molecular Weight:	700.698
Synonyms:	Glucopyranose,pentabenzoate, a-D-(8CI);Glucopyranose pentabenzoate;NSC 231869;Penta-O-benzoyl-a-D-glucopyranose;a-D-Glucose pentabenzoate;
Density:	1.377 g/cm³
Melting Point:	185-188 °C(lit.)
Boiling Point:	803.729 °C at 760 mmHg
Flash Point:	325.931 °C
PSA:	140.73000
LogP:	6.10210

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Specification

The α-D-Glucopyranose, pentabenzoate(9CI), with CAS registry number 22415-91-4, belongs to the following product categories: (1)Carbohydrate Synthesis; (2)Monosaccharides; (3)Specialty Synthesis. It has the systematic name of 1,2,3,4,6-pentakis-O-(phenylcarbonyl)-alpha-D-idopyranose. And the chemical formula of this chemical is C₄₁H₃₂O₁₁.

Physical properties of α-D-Glucopyranose, pentabenzoate(9CI): (1)ACD/LogP: 11.80; (2)# of Rule of 5 Violations: 3; (3)ACD/LogD (pH 5.5): 11.8; (4)ACD/LogD (pH 7.4): 11.8; (5)ACD/BCF (pH 5.5): 1000000; (6)ACD/BCF (pH 7.4): 1000000; (7)ACD/KOC (pH 5.5): 10000000; (8)ACD/KOC (pH 7.4): 10000000; (9)#H bond acceptors: 11; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 16; (12)Polar Surface Area: 140.73 Å²; (13)Index of Refraction: 1.649; (14)Molar Refractivity: 185.41 cm³; (15)Molar Volume: 508.7 cm³; (16)Polarizability: 73.5×10^-24cm³; (17)Surface Tension: 65.6 dyne/cm; (18)Density: 1.37 g/cm³; (19)Flash Point: 325.9 °C; (20)Enthalpy of Vaporization: 116.86 kJ/mol; (21)Boiling Point: 803.7 °C at 760 mmHg; (22)Vapour Pressure: 7.33E-26 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O[C@H]5O[C@H](COC(=O)c1ccccc1)[C@H](OC(=O)c2ccccc2)[C@@H](OC(=O)c3ccccc3)[C@@H]5OC(=O)c4ccccc4)c6ccccc6
(2)InChI: InChI=1/C41H32O11/c42-36(27-16-6-1-7-17-27)47-26-32-33(49-37(43)28-18-8-2-9-19-28)34(50-38(44)29-20-10-3-11-21-29)35(51-39(45)30-22-12-4-13-23-30)41(48-32)52-40(46)31-24-14-5-15-25-31/h1-25,32-35,41H,26H2/t32-,33+,34-,35+,41-/m1/s1
(3)InChIKey: JJNMLNFZFGSWQR-KEIVOPBBBH
(4)Std. InChI: InChI=1S/C41H32O11/c42-36(27-16-6-1-7-17-27)47-26-32-33(49-37(43)28-18-8-2-9-19-28)34(50-38(44)29-20-10-3-11-21-29)35(51-39(45)30-22-12-4-13-23-30)41(48-32)52-40(46)31-24-14-5-15-25-31/h1-25,32-35,41H,26H2/t32-,33+,34-,35+,41-/m1/s1
(5)Std. InChIKey: JJNMLNFZFGSWQR-KEIVOPBBSA-N