CAS No.3615-17-6,2-acetamido-2-deoxy-D-mannose Suppliers

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Basic Information

Molecular Structure:
CAS No.:	3615-17-6
Name:	2-acetamido-2-deoxy-D-mannose
Article Data:	24

Formula:	C₈H₁₅NO₆
Molecular Weight:	221.21
Synonyms:	Mannose,2-acetamido-2-deoxy-, D- (8CI);N-Acetyl-b-D-mannosamine;N-Acetylmannosamine;
EINECS:	222-790-8
Density:	1.5 g/cm³
Melting Point:	205 °C
Boiling Point:	595.4 °C at 760 mmHg
Flash Point:	313.9 °C
PSA:	119.25000
LogP:	-2.68670

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Specification

The D-Mannose,2-(acetylamino)-2-deoxy-, with the CAS registry number 3615-17-6 and EINECS registry number 222-790-8, has the systematic name of 2-(acetylamino)-2-deoxy-D-mannopyranose. It belongs to the product categories of Biochemistry and Sugars. And the molecular formula of the chemical is C₈H₁₅NO₆.

The characteristics of D-Mannose,2-(acetylamino)-2-deoxy- are as followings: (1)# of Rule of 5 Violations: 1; (2)ACD/BCF (pH 5.5): 1; (3)ACD/BCF (pH 7.4): 1; (4)ACD/KOC (pH 5.5): 1.07; (5)ACD/KOC (pH 7.4): 1.07; (6)#H bond acceptors: 7; (7)#H bond donors: 5; (8)#Freely Rotating Bonds: 6; (9)Polar Surface Area: 119.25 Å²; (10)Index of Refraction: 1.575; (11)Molar Refractivity: 48.57 cm³; (12)Molar Volume: 146.8 cm³; (13)Polarizability: 19.25×10^-24cm³; (14)Surface Tension: 75.1 dyne/cm; (15)Density: 1.5 g/cm³; (16)Flash Point: 313.9 °C; (17)Enthalpy of Vaporization: 101.81 kJ/mol; (18)Boiling Point: 595.4 °C at 760 mmHg; (19)Vapour Pressure: 1.18E-16 mmHg at 25°C.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: OC1O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1NC(C)=O
(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-,8u/m1/s1
(3)InChIKey: OVRNDRQMDRJTHS-UDCGOXQTBZ