Molecular Structure of 2-C-Methyl-D-ribono-1,4-lactone (CAS NO.492-30-8):
IUPAC Name: 3,4-Dihydroxy-5-(hydroxymethyl)-3-methyloxolan-2-one
Canonical SMILES: CC1(C(C(OC1=O)CO)O)O
InChI: InChI=1S/C6H10O5/c1-6(10)4(8)3(2-7)11-5(6)9/h3-4,7-8,10H,2H2,1H3
InChIKey: WJBVKNHJSHYNHO-UHFFFAOYSA-N
Molecular Weight: 162.1406 [g/mol]
Molecular Formula: C6H10O5
XLogP3-AA: -1.2
H-Bond Donor: 3
H-Bond Acceptor: 5
Rotatable Bond Count: 1
Exact Mass: 162.052823
MonoIsotopic Mass: 162.052823
Topological Polar Surface Area: 87
Heavy Atom Count: 11
Complexity: 180
Mol File: 492-30-8.mol
Index of Refraction: 1.551
Molar Refractivity: 34.206 cm3
Molar Volume: 107.224 cm3
Surface Tension: 69.362 dyne/cm
Density: 1.512 g/cm3
Flash Point: 145.586 °C
Enthalpy of Vaporization: 67.376 kJ/mol
Boiling Point: 338.273 °C at 760 mmHg
Vapour Pressure: 0 mmHg at 25 °C
2-C-Methyl-D-ribono-1,4-lactone (CAS NO.492-30-8), its Synonyms are 3,4-Dihydroxy-5-(hydroxymethyl)-3-methyloxolan-2-one ; (3R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)-3-methyldihydrofuran-2(3H)-one ; 3,4-Dihydroxy-3-methyl-5-methylol-tetrahydrofuran-2-one .
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