CAS No.1811-31-0,N-Acetyl-D-galactosamine Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	1811-31-0
Name:	N-Acetyl-D-galactosamine
Article Data:	11

Formula:	C₈H₁₅NO₆
Molecular Weight:	221.21
Synonyms:	Galactosamine,N-acetyl-, D- (6CI);Galactose, 2-acetamido-2-deoxy-, D- (8CI);2-(Acetylamino)-2-deoxy-D-galactose;2-Acetamido-2-deoxy-D-galactose;2-Deoxy-2-acetamido-D-galactose;2-N-Acetyl-D-galactosamine;D-N-Acetylgalactosamine;GalNAc;N-Acetyl-2-amino-2-deoxy-D-galactose;N-Acetyl-2-amino-2-deoxygalactose;N-Acetyl-D-galactosamine;
EINECS:	217-321-9
Density:	1.423 g/cm³
Melting Point:	160-161 °C
Boiling Point:	636.4 °C at 760 mmHg
Flash Point:	338.7 °C
Solubility:	H₂O: 0.1 g/mL, clear, colorless
Appearance:	white to off-white crystalline powder
Hazard Symbols:	Xi
Safety:	22-24/25
PSA:	127.09000
LogP:	-2.84410

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Specification

The CAS register number of N-Acetylgalactosamine is 1811-31-0. It also can be called as 2-Acetamido-2-deoxy-D-galactose and the IUPAC name about this chemical is N-[(2S,3R,4R,5R,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide. The molecular formula about this chemical is C₈H₁₅NO₆and the molecular weight is 221.21. It belongs to the following product categories which include 13C & 2H Sugars; Aldehydes; Carbohydrates & Derivatives and so on.. When you are using it, please do not breathe dust and avoid contact with skin and eyes.

Physical properties about N-Acetylgalactosamine are: (1)ACD/LogP: -2.48; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): -2.48; (4)ACD/LogD (pH 7.4): -2.48; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1.07; (8)ACD/KOC (pH 7.4): 1.07; (9)#H bond acceptors: 7; (10)#H bond donors: 5; (11)#Freely Rotating Bonds: 6; (12)Polar Surface Area: 66.46Å²; (13)Index of Refraction: 1.575; (14)Molar Refractivity: 48.57 cm³; (15)Molar Volume: 146.8 cm³; (16)Polarizability: 19.25x10^-24cm³; (17)Surface Tension: 75.1 dyne/cm; (18)Enthalpy of Vaporization: 101.81 kJ/mol; (19)Boiling Point: 595.4 °C at 760 mmHg; (20)Vapour Pressure: 1.18E-16 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(N[C@@H]1[C@@H](O)[C@@H](O)[C@H](O[C@@H]1O)CO)C
(2)InChI: InChI=1/C8H15NO6/c1-3(11)9-5-7(13)6(12)4(2-10)15-8(5)14/h4-8,10,12-14H,2H2,1H3,(H,9,11)/t4-,5-,6+,7-,8+/m1/s1
(3)InChIKey: OVRNDRQMDRJTHS-CBQIKETKBW
(4)Std. InChI: InChI=1S/C8H15NO6/c1-3(11)9-5-7(13)6(12)4(2-10)15-8(5)14/h4-8,10,12-14H,2H2,1H3,(H,9,11)/t4-,5-,6+,7-,8+/m1/s1
(5)Std. InChIKey: OVRNDRQMDRJTHS-CBQIKETKSA-N