108916-86-5
RUTIN SULFATE
Name
RUTIN SULFATE
Formula
C27 H30 O19 S
MolWeight
690.581
1Identification
【Name】
RUTIN SULFATE
【CAS】
【MDL】
MFCD03991298
【English Synonyms】
【Formula】
C27 H30 O19 S
【MolWeight】
690.581
【Inchi】
InChI=1S/C27H30O19S/c1-8-17(31)20(34)22(36)26(42-8)41-7-15-18(32)21(35)23(37)27(44-15)45-25-19(33)16-13(5-10(28)6-14(16)46-47(38,39)40)43-24(25)9-2-3-11(29)12(30)4-9/h2-6,8,15,17-18,20-23,26-32,34-37H,7H2,1H3,(H,38,39,40)/t8-,15+,17-,18+,20+,21-,22+,23+,26+,27-/m0/s1
【InChIKey】
InChIKey=WNAGBDJAUYSRKG-NVPNHPEKSA-N
【SMILES】
C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)Oc3c(=O)c4c(cc(cc4OS(=O)(=O)O)O)oc3c5ccc(c(c5)O)O)O)O)O)O)O)O
【MOL File】
2Chemical and Physical Properties
【Computed Properties】
H bond donor:10
H bond acceptor:19
XLogP3:-4.0
Bulk/Fine:FB
3Material Safety Data Sheet(MSDS)
4CML File
RUTIN SULFATE.cml
Quick Release
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