Molecule

ID:129759

General Information
Structure
MolImage
Molecular Formula
C₃₄H₂₄O₂₂
Molecular Mass
784.54116
Exact Mass
784.07592241
Charge
0
InChI
InChI=1S/C34H24O22/c35-9-1-6(2-10(36)19(9)39)30(47)52-5-13-27(25(45)26(46)34(51)53-13)54-31(48)7-3-11(37)20(40)22(42)14(7)16-18-17-15-8(32(49)55-29(17)24(44)23(16)43)4-12(38)21(41)28(15)56-33(18)50/h1-4,13,25-27,34-46,51H,5H2
InChIKey
UKIPVDAOZKIZJT-UHFFFAOYSA-N
Canonic Smiles
OC1C(O)OC(C(C1O)OC(=O)c1cc(O)c(c(c1c1c(O)c(O)c2c3c1c(=O)oc1c3c(c(=O)o2)cc(c1O)O)O)O)COC(=O)c1cc(O)c(c(c1)O)O
Isomeric Smiles
c1c(cc(c(c1O)O)O)C(=O)OCC1C(C(C(C(O1)O)O)O)OC(=O)c1cc(c(c(c1c1c(c(c2c3c1c(=O)oc1c3c(cc(c1O)O)c(=O)o2)O)O)O)O)O
Calculated Properties
JChem
Acid pKa
5.2844396
H Acceptors
18
H Donor
13
LogD (pH = 5.5)
1.739839
LogD (pH = 7.4)
-1.0556587
Log P
2.2265706
Molar Refractivity
177.1386
Polarizability
70.16127
Polar Surface Area
377.42
Rotatable Bonds
7
Lipinski's Rule of Five
false
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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