2-O-Methylenemyoinositol supplier

Name
1-oxaspiro[2.5]octane-4,5,6,7,8-pentol
EINECS
CAS No. 4068-87-5
Density 1.83 g/cm³
Solubility
Melting Point
Formula C₇H₁₂O₆
Boiling Point 408.943 °C at 760 mmHg
Molecular Weight 192.06
Flash Point 201.122 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 1-Oxaspiro[2.5]octane-4,5,6,7,8-pentol(7CI);Inositol, 2,21-anhydro-2-C-(hydroxymethyl)-, myo- (8CI);1-Oxaspiro[2.5]octane,myo-inositol deriv.;2-C-Methylene-myo-inositol oxide;2-O,C-Methylene-myo-inositol;NSC 45109;
PSA
LogP

2-O-Methylenemyoinositol Specification

The myo-Inositol,2,21-anhydro-2-C-(hydroxymethyl)- (9CI), with the CAS registry number 4068-87-5, is also known as 2-O-Methylenemyoinositol. This chemical's molecular formula is C₇H₁₂O₆ and molecular weight is 192.06. What's more, both its IUPAC name and systematic name are the same which is called 1-Oxaspiro[2.5]octane-4,5,6,7,8-pentol.

Physical properties about myo-Inositol,2,21-anhydro-2-C-(hydroxymethyl)- (9CI) are: (1)ACD/LogP: -2.89; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): -2.89; (4)ACD/LogD (pH 7.4): -2.89; (5)ACD/BCF (pH 5.5): 1.00; (6)ACD/BCF (pH 7.4): 1.00; (7)ACD/KOC (pH 5.5): 1.00; (8)ACD/KOC (pH 7.4): 1.00; (9)#H bond acceptors: 6; (10)#H bond donors: 5; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 113.68 Å²; (13)Index of Refraction: 1.682; (14)Molar Refractivity: 39.681 cm³; (15)Molar Volume: 104.814 cm³; (16)Surface Tension: 114.38 dyne/cm; (17)Density: 1.833 g/cm³; (18)Flash Point: 201.122 °C; (19)Enthalpy of Vaporization: 76.385 kJ/mol; (20)Boiling Point: 408.943 °C at 760 mmHg; (21)Vapour Pressure: 0 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: OC2C(O)C(O)C(O)C(O)C21OC1
(2) InChI: InChI=1S/C7H12O6/c8-2-3(9)5(11)7(1-13-7)6(12)4(2)10/h2-6,8-12H,1H2
(3) InChIKey: AWCFPDQAULWFNH-UHFFFAOYSA-N

Product Name

1-oxaspiro[2.5]octane-4,5,6,7,8-pentol

2-O-Methylenemyoinositol Specification

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