Molecule

ID:72922

General Information
Structure
MolImage
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-UYDOISQJSA-N
Canonic Smiles
OC[C@]1(C)[C@@H](O)[C@H](O)C[C@]2([C@H]1CC[C@@]1([C@@H]2CC=C2[C@@]1(C)CC[C@@]1([C@H]2[C@@H](C)[C@@H](CC1)C)C(=O)O)C)C
Isomeric Smiles
[C@@H]1([C@@H]([C@]([C@H]2[C@](C1)([C@@H]1[C@@](CC2)([C@]2(C(=CC1)[C@H]1[C@@](CC2)(CC[C@H]([C@@H]1C)C)C(=O)O)C)C)C)(CO)C)O)O
Calculated Properties
JChem
LogD (pH = 7.4)
1.62
LogD (pH = 5.5)
3.40
Log P
4.23
Rotatable Bonds
2
H Donor
4
H Acceptors
5
Lipinski's Rule of Five
true
Acid pKa
4.74
Polar Surface Area
97.99
Polarizability
56.85
Molar Refractivity
136.83
LOG S
-5.93
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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