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CAS No.: | 14440-51-8 |
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Name: | 1,6-ANHYDRO-2,3-O-ISOPROPYLIDENE-BETA-D-MANNOPYRANOSE |
Article Data: | 17 |
Molecular Structure: | |
Formula: | C9H14O5 |
Molecular Weight: | 202.207 |
Synonyms: | 1,6-Anhydro-2,3-O-isopropylidene-b-D-mannopyranoside; |
Density: | 1.29 g/cm3 |
Melting Point: | 127-130 °C (lit.) |
Boiling Point: | 337.275 °C at 760 mmHg |
Flash Point: | 157.778 °C |
Appearance: | white crystalline solid |
Safety: | 24/25 |
PSA: | 57.15000 |
LogP: | -0.37750 |
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The b-D-Mannopyranose, 1, 6-anhydro-2, 3-O-(1-methylethylidene)-, with the CAS registry number 14440-51-8, is also known as 1, 6-Anhydro-2, 3-O-isopropylidene-b-D-mannopyranoside. It belongs to the product categories of Carbohydrates & Derivatives; Carbohydrate Synthesis; Monosaccharides; Specialty Synthesis. In addition, this chemical's molecular formula is C9H14O5 and molecular weight is 202.20.
Physical properties about b-D-Mannopyranose, 1, 6-anhydro-2, 3-O-(1-methylethylidene)- are: (1)ACD/LogP: 1.05; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2; (4)ACD/LogD (pH 7.4): 2; (5)ACD/BCF (pH 5.5): 18; (6)ACD/BCF (pH 7.4): 18; (7)ACD/KOC (pH 5.5): 278; (8)ACD/KOC (pH 7.4): 278; (9)#H bond acceptors: 5; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 57.15 Å2; (13)Index of Refraction: 1.495; (14)Molar Refractivity: 45.72 cm3; (15)Molar Volume: 156.76 cm3; (16)Polarizability: 18.125×10-24 cm3; (17)Surface Tension: 44.971 dyne/cm; (18)Density: 1.29 g/cm3; (19)Flash Point: 157.778 °C; (20)Enthalpy of Vaporization: 67.252 kJ/mol; (21)Boiling Point: 337.275 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: CC1(OC2C(C3COC(C2O1)O3)O)C
(2) InChI: InChI=1/C9H14O5/c1-9(2)13-6-5(10)4-3-11-8(12-4)7(6)14-9/h4-8,10H,3H2,1-2H3/t4-,5-,6+,7+,8-/m1/s1
(3) InChIKey: VEESJHGZLRXGHP-QQGCVABSBT