USD $1.00-1.00 / Kilogram
USD $100.00-150.00 / Kilogram
USD $1.00-10.00 / Kilogram
USD $1.00-10.00 / Kilogram
USD $1.00-10.00 / Kilogram
USD $2.00-10.00 / Kilogram
【name】
a-d-glucopyranuronic acid, methylester, tetraacetate (9ci)
【cas registry number】
5432-32-6
【synonyms】
glucopyranuronicacid, methyl ester, tetraacetate, a-d- (6ci,8ci)
methyl(1,2,3,4-tetra-o-acetyl-a-d-glucopyranosid)uronate
nsc 16926
【molecular formula】
c15h20 o11 (products with the same molecular formula)
【molecular weight】
0
【inchi】
inchi=1s/c15h20o11/c1-6(16)22-10-11(23-7(2)17)13(24-8(3)18)15(25-9(4)19)26-12(10)14(20)21-5/h10-13,15h,1-5h3
【canonical smiles】
cc(=o)oc1c(c(oc(c1oc(=o)c)oc(=o)c)c(=o)oc)oc(=o)c
【mol file】
5432-32-6.mol
chemical and physical properties
【density】
1.33g/cm3
【boiling point】
412.3°cat760mmhg
【flash point】
178.4°c
【computed properties】
molecular weight:376.3127 [g/mol]
molecular formula:c15h20o11
xlogp3-aa:-0.3
h-bond donor:0
h-bond acceptor:11
rotatable bond count:10
exact mass:376.100561
monoisotopic mass:376.100561
topological polar surface area:141
heavy atom count:26
formal charge:0
complexity:584
isotope atom count:0
defined atom stereocenter count:0
undefined atom stereocenter count:5
defined bond stereocenter count:0
undefined bond stereocenter count:0
covalently-bonded unit count:1
feature 3d acceptor count:6
feature 3d ring count:1
effective rotor count:11.2
conformer sampling rmsd:1
cid conformer count:331