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188854-96-8 | D-glycero-D-galacto-Non-2-enonic acid, 2,6-anhydro-3-deoxy-
CAS No: 188854-96-8 Catalog No: AG002HFP MDL No:
Product Description
Catalog Number:
AG002HFP
Chemical Name:
D-glycero-D-galacto-Non-2-enonic acid, 2,6-anhydro-3-deoxy-
CAS Number:
188854-96-8
Molecular Formula:
C9H14O8
Molecular Weight:
250.2027
IUPAC Name:
(2R,3R,4S)-3,4-dihydroxy-2-[(1R,2R)-1,2,3-trihydroxypropyl]-3,4-dihydro-2H-pyran-6-carboxylic acid
InChI:
InChI=1S/C9H14O8/c10-2-4(12)7(14)8-6(13)3(11)1-5(17-8)9(15)16/h1,3-4,6-8,10-14H,2H2,(H,15,16)/t3-,4+,6+,7+,8+/m0/s1
InChI Key:
IZHMZNLAOQHCDZ-LRGKAINGSA-N
SMILES:
OC[C@H]([C@H]([C@@H]1OC(=C[C@@H]([C@H]1O)O)C(=O)O)O)O
Properties
Complexity:
314
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
5
Defined Bond Stereocenter Count:
0
Exact Mass:
250.069g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
6
Isotope Atom Count:
0
Molecular Weight:
250.203g/mol
Monoisotopic Mass:
250.069g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
148A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-2.5
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