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13059-96-6

13059-96-6 | D-altro-3-Heptulose

CAS No: 13059-96-6 Catalog No: AG000UOO MDL No:

Product Description

Catalog Number:
AG000UOO
Chemical Name:
D-altro-3-Heptulose
CAS Number:
13059-96-6
Molecular Formula:
C7H14O7
Molecular Weight:
210.1819
IUPAC Name:
(2R,4R,5R,6R)-1,2,4,5,6,7-hexahydroxyheptan-3-one
InChI:
InChI=1S/C7H14O7/c8-1-3(10)5(12)7(14)6(13)4(11)2-9/h3-5,7-12,14H,1-2H2/t3-,4-,5-,7-/m1/s1
InChI Key:
INYHXAFWZQXELF-FNKGTGPASA-N
SMILES:
OC[C@H]([C@H]([C@H](C(=O)[C@@H](CO)O)O)O)O

Properties

Complexity:
183  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
4  
Defined Bond Stereocenter Count:
0
Exact Mass:
210.074g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
7  
Hydrogen Bond Donor Count:
6  
Isotope Atom Count:
0
Molecular Weight:
210.182g/mol
Monoisotopic Mass:
210.074g/mol
Rotatable Bond Count:
6  
Topological Polar Surface Area:
138A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-3.9  

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