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23351-51-1 | D-gluco-Heptonic acid, (2ξ)-
CAS No: 23351-51-1 Catalog No: AG002MYM MDL No:MFCD23701597
Product Description
Catalog Number:
AG002MYM
Chemical Name:
D-gluco-Heptonic acid, (2ξ)-
CAS Number:
23351-51-1
Molecular Formula:
C7H14O8
Molecular Weight:
226.1813
MDL Number:
MFCD23701597
IUPAC Name:
(3R,4S,5R,6R)-2,3,4,5,6,7-hexahydroxyheptanoic acid
InChI:
InChI=1S/C7H14O8/c8-1-2(9)3(10)4(11)5(12)6(13)7(14)15/h2-6,8-13H,1H2,(H,14,15)/t2-,3-,4+,5-,6?/m1/s1
InChI Key:
KWMLJOLKUYYJFJ-GASJEMHNSA-N
SMILES:
OC[C@H]([C@H]([C@@H]([C@H](C(C(=O)O)O)O)O)O)O
EC Number:
245-601-0
Properties
Complexity:
207
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
4
Defined Bond Stereocenter Count:
0
Exact Mass:
226.069g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
7
Isotope Atom Count:
0
Molecular Weight:
226.181g/mol
Monoisotopic Mass:
226.069g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
159A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
-4
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