486-55-5
DAPHNIN
Name
DAPHNIN
Formula
C15 H16 O9
MolWeight
340.282
1Identification
【Name】
DAPHNIN
【CAS】
【MDL】
MFCD00238573
【English Synonyms】
【Formula】
C15 H16 O9
【MolWeight】
340.282
【Inchi】
InChI=1S/C15H16O9/c16-5-10-12(19)13(20)14(21)15(24-10)22-6-3-8(17)7-1-2-11(18)23-9(7)4-6/h1-4,10,12-17,19-21H,5H2/t10-,12-,13+,14-,15-/m1/s1
【InChIKey】
InChIKey=PMKPSPVMSCXFLK-TVKJYDDYSA-N
【SMILES】
c1cc(=O)oc2c1c(cc(c2)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O
【MOL File】
2Chemical and Physical Properties
【Computed Properties】
H bond donor:5
H bond acceptor:9
XLogP3:-1.0
Bulk/Fine:FB
3Material Safety Data Sheet(MSDS)
4CML File
DAPHNIN.cml
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