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13074-08-3 | L-Tagatose, 6-deoxy-
CAS No: 13074-08-3 Catalog No: AG000UW8 MDL No:
Product Description
Catalog Number:
AG000UW8
Chemical Name:
L-Tagatose, 6-deoxy-
CAS Number:
13074-08-3
Molecular Formula:
C6H12O5
Molecular Weight:
164.1565
IUPAC Name:
(3R,4R,5S)-1,3,4,5-tetrahydroxyhexan-2-one
InChI:
InChI=1S/C6H12O5/c1-3(8)5(10)6(11)4(9)2-7/h3,5-8,10-11H,2H2,1H3/t3-,5+,6-/m0/s1
InChI Key:
QZNPNKJXABGCRC-LFRDXLMFSA-N
SMILES:
OCC(=O)[C@@H]([C@@H]([C@@H](O)C)O)O
Properties
Complexity:
135
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
3
Defined Bond Stereocenter Count:
0
Exact Mass:
164.068g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
164.157g/mol
Monoisotopic Mass:
164.068g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
98A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-2.2
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