Molecule

ID:125913

General Information
Structure
MolImage
Molecular Formula
C₂₅H₂₆O₁₀
Molecular Mass
486.46794
Exact Mass
486.15259703
Charge
0
InChI
InChI=1S/C25H26O10/c1-10-19(28)14(26)7-15(35-10)11-3-4-12-17(20(11)29)21(30)13-5-6-24(33)9-23(2,32)8-16(27)25(24,34)18(13)22(12)31/h3-6,10,14-15,19,26,28-29,32-34H,7-9H2,1-2H3/t10-,14-,15-,19-,23+,24+,25+/m1/s1
InChIKey
KCOULPRVOZDQEL-IFNZWHIZSA-N
Canonic Smiles
O[C@H]1[C@H](O)C[C@@H](O[C@@H]1C)c1ccc2c(c1O)C(=O)C1=C(C2=O)[C@@]2(O)C(=O)C[C@](C[C@]2(C=C1)O)(C)O
Isomeric Smiles
C[C@@H]1[C@H]([C@@H](C[C@@H](O1)c1c(c2c(cc1)C(=O)C1=C(C2=O)C=C[C@]2([C@@]1(C(=O)C[C@](C2)(C)O)O)O)O)O)O
Calculated Properties
JChem
Acid pKa
8.986974
H Acceptors
10
H Donor
6
LogD (pH = 5.5)
-0.8666525
LogD (pH = 7.4)
-0.87751824
Log P
-0.8665122
Molar Refractivity
121.7667
Polarizability
46.680595
Polar Surface Area
181.82
Rotatable Bonds
1
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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