β-D-Galactopyranoside,2-nitrophenyl, 2,3,4,6-tetraacetate supplier

Name
2-Nitrophenyl2,3,4,6-tetra-O-acetyl-b-D-galactopyranoside
EINECS 1533716-785-6
CAS No. 3053-17-6
Article Data6
CAS DataBase
Density 1.38 g/cm³
Solubility
Melting Point 180-182°C
Formula C₂₀H₂₃NO₁₂
Boiling Point 555 °C at 760 mmHg
Molecular Weight 469.402
Flash Point 204.6 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Galactopyranoside,o-nitrophenyl, 2',3',4',6'-tetraacetate, b-D- (8CI);Galactopyranoside, o-nitrophenyl,tetraacetate (7CI);O-Nitrophenyl 2,3,4,6-tetra-O-acetyl-β-D-galactopyranoside;2-Nitrophenyl2,3,4,6-tetra-O-acetyl-β-D-galactopyranoside;2-Nitrophenyl 2,3,4,6-tetra-O-acetyl-β-D-galactopyranoside;
PSA 169.48000
LogP 1.57990

β-D-Galactopyranoside,2-nitrophenyl, 2,3,4,6-tetraacetate Specification

The β-D-Galactopyranoside,2-nitrophenyl, 2,3,4,6-tetraacetate, with the CAS registry number 3053-17-6, is also known as 2-Nitrophenyl2,3,4,6-tetra-O-acetyl-β-D-galactopyranoside. This chemical's molecular formula is C₂₀H₂₃NO₁₂ and molecular weight is 469.40. What's more, its systematic name is 2-Nitrophenyl 2,3,4,6-tetra-O-acetyl-β-D-galactopyranoside.

Physical properties of β-D-Galactopyranoside,2-nitrophenyl, 2,3,4,6-tetraacetate are: (1)ACD/LogP: 2.52; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 2.52; (4)ACD/LogD (pH 7.4): 2.52; (5)ACD/BCF (pH 5.5): 48.57; (6)ACD/BCF (pH 7.4): 48.57; (7)ACD/KOC (pH 5.5): 560.7; (8)ACD/KOC (pH 7.4): 560.7; (9)#H bond acceptors: 13; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 12; (12)Polar Surface Area: 169.48 Å²; (13)Index of Refraction: 1.54; (14)Molar Refractivity: 106.37 cm³; (15)Molar Volume: 338.5 cm³; (16)Polarizability: 42.16×10^-24cm³; (17)Surface Tension: 55.6 dyne/cm; (18)Density: 1.38 g/cm³; (19)Flash Point: 204.6 °C; (20)Enthalpy of Vaporization: 83.62 kJ/mol; (21)Boiling Point: 555 °C at 760 mmHg; (22)Vapour Pressure: 2.33E-12 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CC(=O)OCC1C(C(C(C(O1)OC2=CC=CC=C2[N+](=O)[O-])OC(=O)C)OC(=O)C)OC(=O)C
(2)InChI: InChI=1S/C20H23NO12/c1-10(22)28-9-16-17(29-11(2)23)18(30-12(3)24)19(31-13(4)25)20(33-16)32-15-8-6-5-7-14(15)21(26)27/h5-8,16-20H,9H2,1-4H3/t16-,17+,18+,19-,20-/m1/s1
(3)InChIKey: ILJYBOOYGRDODX-LCWAXJCOSA-N

Product Name

2-Nitrophenyl2,3,4,6-tetra-O-acetyl-b-D-galactopyranoside

β-D-Galactopyranoside,2-nitrophenyl, 2,3,4,6-tetraacetate Specification

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