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15351-13-0

Basic Information
CAS No.: 15351-13-0
Name: Nicofuranose
Molecular Structure:
Molecular Structure of 15351-13-0 (Nicofuranose)
Formula: C30H24N4O10
Molecular Weight: 600.53
Synonyms: Fructofuranose,1,3,4,6-tetranicotinate, b-D- (8CI);1,3,4,6-Tetranicotinoylfructofuranose;Bradilan;Buclidan;Cardilan;Cardilan (ester);ES 304;b-D-Fructofuranose,1,3,4,6-tetra-3-pyridinecarboxylate;Vasperdil;1,3,4,6-Tetrakis-O-(3-pyridinylcarbonyl)-β-D-fructofuranose;
EINECS: 239-385-7
Density: 1.501 g/cm3
Melting Point: 133-136 °C
Boiling Point: 755.995 °C at 760 mmHg
Flash Point: 411.011 °C
Risk Codes: 20/21/22
Safety: 22-36/37/39
PSA: 186.22000
LogP: 1.81900
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    Formula: C30H24N4O10 Molecular Weight: 600.53Appearance:white crystalline powder, odorless, little bitter taste Storage:Store in cool and dry places, keep away from light Package:25kg/fiber drum;Inner package:two double plastic bags. Transportation:3

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Specification

The Nicofuranose, with the CAS registry number 15351-13-0, is also known as b-D-Fructofuranose,1,3,4,6-tetra-3-pyridinecarboxylate. Its EINECS number is 239-385-7. This chemical's molecular formula is C30H24N4O10 and molecular weight is 600.53. What's more, its systematic name is 1,3,4,6-Tetrakis-O-(3-pyridinylcarbonyl)-β-D-fructofuranose. Its classification codes are: (1)Cardiovascular Agents; (2)Vasodilator Agents. Nicofuranose is a niacin derivative used as a hypolipidemic agent. It produces fewer side effects than pure nicotinic acid and is used in peripheral vascular disease, and it is also proposed as anticholesteremic.

Physical properties of Nicofuranose are: (1)ACD/LogP: -1.529; (2)# of Rule of 5 Violations: 2; (3)ACD/LogD (pH 5.5): -1.54; (4)ACD/LogD (pH 7.4): -1.53; (5)ACD/BCF (pH 5.5): 1.00; (6)ACD/BCF (pH 7.4): 1.00; (7)ACD/KOC (pH 5.5): 3.46; (8)ACD/KOC (pH 7.4): 3.48; (9)#H bond acceptors: 14; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 15; (12)Polar Surface Area: 186.22 Å2; (13)Index of Refraction: 1.656; (14)Molar Refractivity: 146.997 cm3; (15)Molar Volume: 400.089 cm3; (16)Polarizability: 58.274×10-24cm3; (17)Surface Tension: 83.15 dyne/cm; (18)Density: 1.501 g/cm3; (19)Flash Point: 411.011 °C; (20)Enthalpy of Vaporization: 115.575 kJ/mol; (21)Boiling Point: 755.995 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
This chemical is harmful by inhalation, in contact with skin and if swallowed. You should not breathe dust. When using it, you need to wear suitable protective clothing, gloves and eye/face protection.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OC[C@H]4O[C@](O)(COC(=O)c1cccnc1)[C@@H](OC(=O)c2cccnc2)[C@@H]4OC(=O)c3cccnc3)c5cccnc5
(2)Std. InChI: InChI=1S/C30H24N4O10/c35-26(19-5-1-9-31-13-19)40-17-23-24(42-28(37)21-7-3-11-33-15-21)25(43-29(38)22-8-4-12-34-16-22)30(39,44-23)18-41-27(36)20-6-2-10-32-14-20/h1-16,23-25,39H,17-18H2/t23-,24-,25+,30-/m1/s1
(3)Std. InChIKey: FUWFSXZKBMCSKF-ZASNTINBSA-N