Molecule
ID:119721
General Information
Molecular Formula
C₃₀H₄₈O₅
Molecular Mass
488.69912
Exact Mass
488.35017464
Charge
0
InChI
InChI=1S/C30H48O5/c1-17-9-12-30(25(34)35)14-13-28(5)19(23(30)18(17)2)7-8-22-26(3)15-20(32)24(33)27(4,16-31)21(26)10-11-29(22,28)6/h7,17-18,20-24,31-33H,8-16H2,1-6H3,(H,34,35)/t17-,18+,20-,21?,22?,23+,24-,26+,27+,28-,29-,30+/m1/s1
InChIKey
JXSVIVRDWWRQRT-SVCFHXMWSA-N
Canonic Smiles
OC[C@]1(C)[C@H](O)[C@H](O)C[C@]2(C1CC[C@@]1(C2CC=C2[C@@]1(C)CC[C@@]1([C@H]2[C@@H](C)[C@@H](CC1)C)C(=O)O)C)C
Isomeric Smiles
C12=CCC3[C@@]4(C([C@@]([C@@H]([C@@H](C4)O)O)(CO)C)CC[C@]3([C@@]1(CC[C@@]1([C@H]2[C@H]([C@@H](CC1)C)C)C(=O)O)C)C)C
Calculated Properties
JChem
Acid pKa
4.7441254
H Acceptors
5
H Donor
4
LogD (pH = 5.5)
3.4007869
LogD (pH = 7.4)
1.6238283
Log P
4.2261305
Molar Refractivity
136.8342
Polarizability
54.46818
Polar Surface Area
97.99
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
No Data Available
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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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