CAS No.17691-02-0,P-AMINOPHENYL BETA-D-LACTOPYRANOSIDE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	17691-02-0
Name:	P-AMINOPHENYL BETA-D-LACTOPYRANOSIDE
Article Data:	8

Formula:	C₁₈H₂₇NO₁₁
Molecular Weight:	433.412
Synonyms:	Glucopyranoside,p-aminophenyl 4-O-b-D-galactopyranosyl-, b-D- (8CI);Lactoside, p-aminophenyl (6CI,7CI);4-Aminophenyl b-D-lactopyranoside;p-Aminophenylb-lactoside;
EINECS:	1533716-785-6
Density:	1.64g /cm³
Melting Point:	200-204 °C
Boiling Point:	774.6 °C at 760 mmHg
Flash Point:	422.3 °C
Appearance:	off-white crystalline solid
PSA:	204.55000
LogP:	-3.14710

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Specification

This chemical is called 4-Aminophenyl beta-D-lactopyranoside, and its systematic name is beta-D-Glucopyranoside, 4-aminophenyl 4-O-beta-D-galactopyranosyl-. With the molecular formula of C₁₈H₂₇NO₁₁, its molecular weight is 433.41. The CAS registry number of this chemical is 17691-02-0, and its product category is Oligosaccharides. In addition, this chemical is off-white crystalline solid.

Other characteristics of the 4-Aminophenyl beta-D-lactopyranoside can be summarised as followings: (1)ACD/LogP: -3.16; (2)# of Rule of 5 Violations: 2; (3)ACD/LogD (pH 5.5): -3.26; (4)ACD/LogD (pH 7.4): -3.16; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 12; (10)#H bond donors: 9; (11)#Freely Rotating Bonds: 14; (12)Polar Surface Area: 104.77 Å²; (13)Index of Refraction: 1.675; (14)Molar Refractivity: 99.34 cm³; (15)Molar Volume: 264.2 cm³; (16)Polarizability: 39.38×10^-24cm³; (17)Surface Tension: 98.9 dyne/cm; (18)Density: 1.64 g/cm³; (19)Flash Point: 422.3 °C; (20)Enthalpy of Vaporization: 118.27 kJ/mol; (21)Boiling Point: 774.6 °C at 760 mmHg; (22)Vapour Pressure: 3E-25 mmHg at 25°C.

You can still convert the following datas into molecular structure:
1.SMILES: O(c1ccc(N)cc1)[C@@H]3O[C@@H]([C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]3O)CO
2.InChI: InChI=1/C18H27NO11/c19-7-1-3-8(4-2-7)27-17-15(26)13(24)16(10(6-21)29-17)30-18-14(25)12(23)11(22)9(5-20)28-18/h1-4,9-18,20-26H,5-6,19H2/t9-,10-,11+,12+,13-,14-,15-,16-,17-,18+/m1/s1
3.InChIKey: OCHWUNNDLIWPAO-MUKCROHVBJ