CID 51040814

C23H36O6 — CID 51040814

IUPAC—
SMILESCO[C@@H]1OC(=O)C[C@]12CC[C@@]1(O2)[C@H](C)C[C@@H](OC(C)=O)[C@H]2C(C)(C)CCC[C@@]21C
InChIInChI=1S/C23H36O6/c1-14-12-16(27-15(2)24)18-20(3,4)8-7-9-21(18,5)23(14)11-10-22(29-23)13-17(25)28-19(22)26-6/h14,16,18-19H,7-13H2,1-6H3/t14-,16-,18+,19-,21+,22-,23-/m1/s1
InChIKeySFOHMBBFSBTGGN-BJAMVBBPSA-N
MW408.54 g/mol
LogP4.00
Rot. Bonds2

About CID 51040814

CID 51040814 (PubChem CID 51040814) has the molecular formula C23H36O6 and a molecular weight of 408.54 g/mol.

Molecular Properties

Compound NameCID 51040814
PubChem CID51040814
Molecular FormulaC23H36O6
Molecular Weight408.54 g/mol
Exact Mass408.25
IUPAC Name—
SMILESCO[C@@H]1OC(=O)C[C@]12CC[C@@]1(O2)[C@H](C)C[C@@H](OC(C)=O)[C@H]2C(C)(C)CCC[C@@]21C
InChIInChI=1S/C23H36O6/c1-14-12-16(27-15(2)24)18-20(3,4)8-7-9-21(18,5)23(14)11-10-22(29-23)13-17(25)28-19(22)26-6/h14,16,18-19H,7-13H2,1-6H3/t14-,16-,18+,19-,21+,22-,23-/m1/s1
InChIKeySFOHMBBFSBTGGN-BJAMVBBPSA-N
XLogP4.00
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.54
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of CID 51040814?
The IUPAC name of CID 51040814 (CID 51040814) is not available.
What is the SMILES notation for CID 51040814?
The canonical SMILES for CID 51040814 is CO[C@@H]1OC(=O)C[C@]12CC[C@@]1(O2)[C@H](C)C[C@@H](OC(C)=O)[C@H]2C(C)(C)CCC[C@@]21C.
What is the InChIKey of CID 51040814?
The InChIKey is SFOHMBBFSBTGGN-BJAMVBBPSA-N. The full InChI is InChI=1S/C23H36O6/c1-14-12-16(27-15(2)24)18-20(3,4)8-7-9-21(18,5)23(14)11-10-22(29-23)13-17(25)28-19(22)26-6/h14,16,18-19H,7-13H2,1-6H3/t14-,16-,18+,19-,21+,22-,23-/m1/s1.
What are the key properties of CID 51040814?
CID 51040814 has a molecular weight of 408.54 g/mol, XLogP of 4.00, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for CID 51040814 is sourced from PubChem (CID 51040814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).