Molecule

ID:134282

General Information
Structure
MolImage
Molecular Formula
C₃₂H₅₅NO₂₄
Molecular Mass
837.7714
Exact Mass
837.31140165
Charge
0
InChI
InChI=1S/C32H55NO24/c1-7-14(38)19(43)21(45)30(49-7)54-24-12(6-36)51-28(48)23(47)26(24)56-32-27(57-31-22(46)20(44)15(39)8(2)50-31)25(17(41)11(5-35)53-32)55-29-13(33-9(3)37)18(42)16(40)10(4-34)52-29/h7-8,10-32,34-36,38-48H,4-6H2,1-3H3,(H,33,37)/t7-,8-,10+,11+,12+,13+,14+,15+,16-,17-,18+,19+,20+,21-,22-,23+,24+,25-,26+,27+,28?,29+,30-,31-,32-/m0/s1
InChIKey
ZBXMDMBUJYNWCZ-NLMCABFBSA-N
Canonic Smiles
OC[C@H]1O[C@@H](O[C@@H]2[C@@H](O)C(O)O[C@@H]([C@H]2O[C@@H]2O[C@@H](C)[C@H]([C@H]([C@@H]2O)O)O)CO)[C@@H]([C@H]([C@H]1O)O[C@H]1O[C@H](CO)[C@@H]([C@@H]([C@H]1NC(=O)C)O)O)O[C@@H]1O[C@@H](C)[C@H]([C@H]([C@@H]1O)O)O
Isomeric Smiles
C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)O[C@@H]1[C@H](OC([C@@H]([C@H]1O[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O[C@@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)NC(=O)C)O[C@H]1[C@H]([C@@H]([C@@H]([C@@H](O1)C)O)O)O)O)O)CO)O)O)O
Calculated Properties
JChem
Acid pKa
11.151813
H Acceptors
24
H Donor
15
LogD (pH = 5.5)
-8.210098
LogD (pH = 7.4)
-8.210173
Log P
-8.210097
Molar Refractivity
173.5905
Polarizability
73.22482
Polar Surface Area
395.39
Rotatable Bonds
12
Lipinski's Rule of Five
false
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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