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20633-72-1 | β-D-Glucopyranoside, (1S,4aS,5R,7aR)-1,4a,5,7a-tetrahydro-4a,5-dihydroxy-7-(hydroxymethyl)cyclopenta[c]pyran-1-yl
CAS No: 20633-72-1 Catalog No: AG002IGE MDL No:
Product Description
Catalog Number:
AG002IGE
Chemical Name:
β-D-Glucopyranoside, (1S,4aS,5R,7aR)-1,4a,5,7a-tetrahydro-4a,5-dihydroxy-7-(hydroxymethyl)cyclopenta[c]pyran-1-yl
CAS Number:
20633-72-1
Molecular Formula:
C15H22O10
Molecular Weight:
362.3292
IUPAC Name:
(2S,3R,4S,5S,6R)-2-[[(1S,4aS,5R,7aR)-4a,5-dihydroxy-7-(hydroxymethyl)-5,7a-dihydro-1H-cyclopenta[c]pyran-1-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol
InChI:
InChI=1S/C15H22O10/c16-4-6-3-8(18)15(22)1-2-23-13(9(6)15)25-14-12(21)11(20)10(19)7(5-17)24-14/h1-3,7-14,16-22H,4-5H2/t7-,8-,9+,10-,11+,12-,13+,14+,15-/m1/s1
InChI Key:
WVHRUHMGDQLMBZ-KRWIWSHESA-N
SMILES:
OCC1=C[C@H]([C@]2([C@@H]1[C@@H](OC=C2)O[C@@H]1O[C@H](CO)[C@H]([C@@H]([C@H]1O)O)O)O)O
Properties
Complexity:
550
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
9
Defined Bond Stereocenter Count:
0
Exact Mass:
362.121g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
10
Hydrogen Bond Donor Count:
7
Isotope Atom Count:
0
Molecular Weight:
362.331g/mol
Monoisotopic Mass:
362.121g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
169A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-4.1
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