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10030-80-5 | (2R,3R,4S,5S);-2,3,4,5,6-Pentahydroxyhexanal
CAS No: 10030-80-5 Catalog No: AG0001J0 MDL No:MFCD00063884
Product Description
Catalog Number:
AG0001J0
Chemical Name:
(2R,3R,4S,5S);-2,3,4,5,6-Pentahydroxyhexanal
CAS Number:
10030-80-5
Molecular Formula:
C6H12O6
Molecular Weight:
180.1559
MDL Number:
MFCD00063884
IUPAC Name:
(2R,3R,4S,5S)-2,3,4,5,6-pentahydroxyhexanal
InChI:
InChI=1S/C6H12O6/c7-1-3(9)5(11)6(12)4(10)2-8/h1,3-6,8-12H,2H2/t3-,4-,5-,6-/m0/s1
InChI Key:
GZCGUPFRVQAUEE-BXKVDMCESA-N
SMILES:
OC[C@@H]([C@@H]([C@H]([C@H](C=O)O)O)O)O
EC Number:
233-080-2
UNII:
2W3YE50TX8
Properties
Complexity:
138
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
4
Defined Bond Stereocenter Count:
0
Exact Mass:
180.063g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
5
Isotope Atom Count:
0
Molecular Weight:
180.156g/mol
Monoisotopic Mass:
180.063g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
118A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-2.9
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