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123286-00-0
VINFOSILTINE
Name
VINFOSILTINE
Formula
C51 H72 N5 O10 P
MolWeight
946.129
1Identification
【Name】
VINFOSILTINE
【CAS】
【MDL】
MFCD00866503
【English Synonyms】
【Formula】
C51 H72 N5 O10 P
【MolWeight】
946.129
【Inchi】
InChI=1S/C51H72N5O10P/c1-10-47(60)27-32-28-50(46(59)64-9,40-34(19-23-55(29-32)30-47)33-17-14-15-18-37(33)52-40)36-25-35-38(26-39(36)63-8)54(7)43-49(35)21-24-56-22-16-20-48(11-2,42(49)56)44(57)51(43,61)45(58)53-41(31(5)6)67(62,65-12-3)66-13-4/h14-18,20,25-26,31-32,41-44,52,57,60-61H,10-13,19,21-24,27-30H2,1-9H3,(H,53,58)/t32-,41-,42-,43+,44+,47-,48+,49+,50-,51-/m0/s1
【InChIKey】
InChIKey=BOELCLFVOBIXIF-MAKKXPIGSA-N
【SMILES】
CC[C@@]1(C[C@H]2C[C@@](c3c(c4ccccc4[nH]3)CCN(C2)C1)(c5cc6c(cc5OC)N([C@@H]7[C@]68CCN9[C@H]8[C@@](C=CC9)([C@H]([C@@]7(C(=O)N[C@H](C(C)C)P(=O)(OCC)OCC)O)O)CC)C)C(=O)OC)O
【MOL File】
2Chemical and Physical Properties
【Computed Properties】
H bond donor:5
H bond acceptor:15
XLogP3:5.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
VINFOSILTINE.cml
Quick Release
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