99-18-3
PRUNASIN
Name
PRUNASIN
Formula
C14 H17 N O6
MolWeight
295.289
1Identification
【Name】
PRUNASIN
【CAS】
【MDL】
MFCD00049232
【English Synonyms】
【Formula】
C14 H17 N O6
【MolWeight】
295.289
【Inchi】
InChI=1S/C14H17NO6/c15-6-9(8-4-2-1-3-5-8)20-14-13(19)12(18)11(17)10(7-16)21-14/h1-5,9-14,16-19H,7H2/t9-,10+,11+,12-,13+,14+/m0/s1
【InChIKey】
InChIKey=ZKSZEJFBGODIJW-GMDXDWKASA-N
【SMILES】
c1ccc(cc1)[C@H](C#N)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O
【MOL File】
2Chemical and Physical Properties
【Computed Properties】
H bond donor:4
H bond acceptor:7
XLogP3:-1.0
Bulk/Fine:FB
3Material Safety Data Sheet(MSDS)
4CML File
PRUNASIN.cml
Quick Release
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