Molecule

ID:128809

General Information
Structure
MolImage
Molecular Formula
C₃₀H₅₂O₄
Molecular Mass
476.73148
Exact Mass
476.38656014
Charge
0
InChI
InChI=1S/C30H52O4/c1-25(2)12-9-13-30(8,34-25)18-10-15-28(6)23(18)19(31)16-21-27(5)14-11-22(33)26(3,4)24(27)20(32)17-29(21,28)7/h18-24,31-33H,9-17H2,1-8H3/t18-,19+,20+,21+,22-,23-,24-,27+,28+,29+,30+/m0/s1
InChIKey
QFJUYMMIBFBOJY-UXZRXANASA-N
Canonic Smiles
O[C@@H]1C[C@]2(C)[C@@H]([C@@]3([C@@H]1C(C)(C)[C@@H](O)CC3)C)C[C@H]([C@H]1[C@@]2(C)CC[C@@H]1[C@@]1(C)CCCC(O1)(C)C)O
Isomeric Smiles
C[C@@]1(CCCC(O1)(C)C)[C@H]1CC[C@@]2([C@@H]1[C@@H](C[C@H]1[C@]2(C[C@H]([C@@H]2[C@@]1(CC[C@@H](C2(C)C)O)C)O)C)O)C
Calculated Properties
JChem
Acid pKa
14.34848
H Acceptors
4
H Donor
3
LogD (pH = 5.5)
4.319341
LogD (pH = 7.4)
4.319341
Log P
4.319341
Molar Refractivity
136.3044
Polarizability
54.88781
Polar Surface Area
69.92
Rotatable Bonds
1
Lipinski's Rule of Five
true
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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