CID 10597593

C23H36O6 — CID 10597593

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-TUBJXHARSA-N
MW408.54 g/mol
LogP4.00
Rot. Bonds2

About CID 10597593

CID 10597593 (PubChem CID 10597593) has the molecular formula C23H36O6 and a molecular weight of 408.54 g/mol.

Molecular Properties

Compound NameCID 10597593
PubChem CID10597593
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-TUBJXHARSA-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 10597593?
The IUPAC name of CID 10597593 (CID 10597593) is not available.
What is the SMILES notation for CID 10597593?
The canonical SMILES for CID 10597593 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 10597593?
The InChIKey is SFOHMBBFSBTGGN-TUBJXHARSA-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 10597593?
CID 10597593 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 10597593 is sourced from PubChem (CID 10597593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).