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1136-21-6 | Glucopyranose,2,3,4-tri-O-methyl-
CAS No: 1136-21-6 Catalog No: AG00094D MDL No:
Product Description
Catalog Number:
AG00094D
Chemical Name:
Glucopyranose,2,3,4-tri-O-methyl-
CAS Number:
1136-21-6
Molecular Formula:
C9H18O6
Molecular Weight:
222.2356
IUPAC Name:
(3R,4S,5R,6R)-6-(hydroxymethyl)-3,4,5-trimethoxyoxan-2-ol
InChI:
InChI=1S/C9H18O6/c1-12-6-5(4-10)15-9(11)8(14-3)7(6)13-2/h5-11H,4H2,1-3H3/t5-,6-,7+,8-,9?/m1/s1
InChI Key:
JVOHXPRICXIUJD-LOFWALOHSA-N
SMILES:
OC[C@H]1OC(O)[C@@H]([C@H]([C@@H]1OC)OC)OC
Properties
Complexity:
187
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
4
Defined Bond Stereocenter Count:
0
Exact Mass:
222.11g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
222.237g/mol
Monoisotopic Mass:
222.11g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
77.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.5
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