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Ketone Ester

CAS No.:
1208313-97-6
Catalog Number:
AG008TH5
Molecular Formula:
C8H16O4
Molecular Weight:
176.2102
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
100mg
95%
1 week
United States
$772
- +
500mg
95%
1 week
United States
$2073
- +
Product Description
Catalog Number:
AG008TH5
Chemical Name:
Ketone Ester
CAS Number:
1208313-97-6
Molecular Formula:
C8H16O4
Molecular Weight:
176.2102
MDL Number:
MFCD22417094
IUPAC Name:
[(3R)-3-hydroxybutyl] (3R)-3-hydroxybutanoate
InChI:
InChI=1S/C8H16O4/c1-6(9)3-4-12-8(11)5-7(2)10/h6-7,9-10H,3-5H2,1-2H3/t6-,7-/m1/s1
InChI Key:
AOWPVIWVMWUSBD-RNFRBKRXSA-N
SMILES:
C[C@H](CCOC(=O)C[C@H](O)C)O
Properties
Complexity:
135  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
2  
Defined Bond Stereocenter Count:
0
Exact Mass:
176.105g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
176.212g/mol
Monoisotopic Mass:
176.105g/mol
Rotatable Bond Count:
6  
Topological Polar Surface Area:
66.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.1  
Literature
Title Journal
Kinetics, safety and tolerability of (R)-3-hydroxybutyl (R)-3-hydroxybutyrate in healthy adult subjects. Regulatory toxicology and pharmacology : RTP 20120801
Oral 28-day and developmental toxicity studies of (R)-3-hydroxybutyl (R)-3-hydroxybutyrate. Regulatory toxicology and pharmacology : RTP 20120701
Properties