80154-34-3

Name Helicid
CAS 80154-34-3
EINECS(EC#) 1592732-453-0
Molecular Formula C13H16O7
MDL Number MFCD00210992
Molecular Weight 284.26
MOL File 80154-34-3.mol

Chemical Properties

Melting point  199-200°C
alpha  -27 º (c=3.2, MeOH)
Boiling point  559.9±50.0 °C(Predicted)
density  1.510±0.06 g/cm3(Predicted)
storage temp.  Inert atmosphere,2-8°C
solubility  DMF: 1 mg/ml; DMSO: 30 mg/ml; DMSO:PBS (pH 7.2) (1:3): 0.25 mg/ml
form  Powder
pka 12.72±0.70(Predicted)
color  White to Off-white
Water Solubility  Soluble in hot water. Slightly soluble in water, ethanol or carbinol. Insoluble in aether or chloroform.
InChI InChI=1/C13H16O7/c14-5-7-1-3-8(4-2-7)19-13-12(18)11(17)10(16)9(6-15)20-13/h1-5,9-13,15-18H,6H2/t9-,10-,11-,12-,13-/s3
InChIKey OLZAGZCCJJBKNZ-VLJOUNFMSA-N
SMILES [C@@H]1([C@H](O)[C@@H]([C@H](O)[C@@H](CO)O1)O)OC1C=CC(C=O)=CC=1 |&1:0,1,3,4,6,r|
CAS DataBase Reference 80154-34-3(CAS DataBase Reference)

Safety Data

HS Code  29389090

Hazard Information

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