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14168-65-1

Basic Information
CAS No.: 14168-65-1
Name: 1,6-Anhydro-beta-d-mannopyranose
Article Data: 26
Molecular Structure:
Molecular Structure of 14168-65-1 (1,6-Anhydro-beta-d-mannopyranose)
Formula: C6H10O5
Molecular Weight: 162.142
Synonyms: Mannopyranose,1,6-anhydro-, b-D-(6CI,8CI);1,6-Anhydro-D-mannose;1,6-Anhydro-b-D-mannopyranose;1,6-Anhydromannose;Mannosan;NSC 226600;
EINECS: 207-855-0
Density: 1.689 g/cm3
Melting Point: 182-184 °C
Boiling Point: 383.754 °C at 760 mmHg
Flash Point: 185.888 °C
Appearance: White crystalline solid
Hazard Symbols: HarmfulXn,IrritantXi
Risk Codes: 20/21/22-36/37/38
Safety: 26-36
PSA: 79.15000
LogP: -2.17580
Synthetic route
530-26-7

D-Mannose

14168-65-1

mannosan

Conditions
ConditionsYield
With p-toluenesulfonyl chloride In pyridine for 4h; Ambient temperature;80%
With pyridine; p-toluenesulfonyl chloride at 20℃; for 21h; Inert atmosphere;48.4%
With toluene-4-sulfonic acid In N,N-dimethyl-formamide20%
Conditions
ConditionsYield
NaOH In pyridine; sodium hydroxide for 1h; Ambient temperature;77%
With 1,8-diazabicyclo[5.4.0]undec-7-ene In ethanol Ambient temperature;
With sodium hydride In N,N-dimethyl-formamide for 15h; Ambient temperature;
With 1,8-diazabicyclo[5.4.0]undec-7-ene In acetonitrile for 0.5h; Ambient temperature;
20888-02-2

1,6-anhydro-2,3,4-tri-O-benzyl-β-D-mannopyranose

A

104477-48-7

1,6-anhydro-3-O-benzoyl-β-D-mannopyranose

B

14168-65-1

mannosan

Conditions
ConditionsYield
palladium on activated charcoal In isopropyl alcohol for 4h; Heating;A 40%
B n/a
With isopropyl alcohol; palladium on activated charcoal for 4h; Heating;A 40%
B n/a
13242-48-3

2,3,4-tri-O-acetyl-1,6-anhydro-β-D-mannopyranose

14168-65-1

mannosan

Conditions
ConditionsYield
With methanol; barium methoxide
3458-28-4

D-Mannose

14168-65-1

mannosan

Conditions
ConditionsYield
With toluene-4-sulfonic acid; benzene In N,N-dimethyl-formamide
102794-49-0

(1R,2S,6S,7R,8R)-7-Allyloxy-4-vinyl-3,5,10,11-tetraoxa-tricyclo[6.2.1.02,6]undecane

14168-65-1

mannosan

Conditions
ConditionsYield
With sodium acetate; palladium dichloride In acetic acid at 20℃; for 24h;
14440-51-8

1,6-anhydro-2,3-O-isopropylidene-β-D-mannopyranose

14168-65-1

mannosan

Conditions
ConditionsYield
With pyridinium p-toluenesulfonate In methanol for 30h; Heating;
7664-93-9

sulfuric acid

3868-04-0

1,6:3,4-dianhydro-β-D-altropyranose

14168-65-1

mannosan

O2,O3-isopropyliden-1,6-anhydro-β-D-mannopyranose

O2,O3-isopropyliden-1,6-anhydro-β-D-mannopyranose

14168-65-1

mannosan

Conditions
ConditionsYield
With sulfuric acid
3458-28-4

D-Mannose

aqueous sulfuric acid (0.2n)

aqueous sulfuric acid (0.2n)

14168-65-1

mannosan

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Specification

This chemical is called β-D-Mannopyranose, 1,6-anhydro-, and its systematic name is (1R,2S,3S,4S,5R)-6,8-dioxabicyclo[3.2.1]octane-2,3,4-triol (non-preferred name). With the molecular formula of C6H10O5, its molecular weight is 162.14. The CAS registry number of this chemical is 14168-65-1. Additionally, its product category is Carbohydrates & Derivatives.

Other characteristics of the β-D-Mannopyranose, 1,6-anhydro- can be summarised as followings: (1)ACD/LogP: -0.04; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.04; (4)ACD/LogD (pH 7.4): -0.04; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 22.6; (8)ACD/KOC (pH 7.4): 22.6; (9)#H bond acceptors: 5; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 46.15 Å2; (13)Index of Refraction: 1.619; (14)Molar Refractivity: 33.7 cm3; (15)Molar Volume: 95.9 cm3; (16)Polarizability: 13.36×10-24cm3; (17)Surface Tension: 70.6 dyne/cm; (18)Density: 1.688 g/cm3; (19)Flash Point: 185.9 °C; (20)Enthalpy of Vaporization: 73.13 kJ/mol; (21)Boiling Point: 383.8 °C at 760 mmHg; (22)Vapour Pressure: 1.81E-07 mmHg at 25°C.

You can still convert the following datas into molecular structure: 
1.SMILES: O[C@H]2[C@@H](O)[C@H](O)[C@@H]1O[C@H]2OC1
2.InChI: InChI=1/C6H10O5/c7-3-2-1-10-6(11-2)5(9)4(3)8/h2-9H,1H2/t2-,3-,4+,5+,6-/m1/s1
3.InChIKey: TWNIBLMWSKIRAT-RWOPYEJCBN