CID 162656306

C21H32O6 — CID 162656306

IUPAC—
SMILESCO[C@@H]1C[C@@]2(CC[C@@]3(O2)[C@H](C)C(=O)C[C@H]2C(C)(C)[C@H](O)CC[C@@]23C)C(=O)O1
InChIInChI=1S/C21H32O6/c1-12-13(22)10-14-18(2,3)15(23)6-7-19(14,4)21(12)9-8-20(27-21)11-16(25-5)26-17(20)24/h12,14-16,23H,6-11H2,1-5H3/t12-,14+,15-,16+,19+,20+,21-/m1/s1
InChIKeyZYNCOAQDKNMIGG-ZXTDIMGXSA-N
MW380.48 g/mol
LogP2.61
Rot. Bonds1

About CID 162656306

CID 162656306 (PubChem CID 162656306) has the molecular formula C21H32O6 and a molecular weight of 380.48 g/mol.

Molecular Properties

Compound NameCID 162656306
PubChem CID162656306
Molecular FormulaC21H32O6
Molecular Weight380.48 g/mol
Exact Mass380.22
IUPAC Name—
SMILESCO[C@@H]1C[C@@]2(CC[C@@]3(O2)[C@H](C)C(=O)C[C@H]2C(C)(C)[C@H](O)CC[C@@]23C)C(=O)O1
InChIInChI=1S/C21H32O6/c1-12-13(22)10-14-18(2,3)15(23)6-7-19(14,4)21(12)9-8-20(27-21)11-16(25-5)26-17(20)24/h12,14-16,23H,6-11H2,1-5H3/t12-,14+,15-,16+,19+,20+,21-/m1/s1
InChIKeyZYNCOAQDKNMIGG-ZXTDIMGXSA-N
XLogP2.61
TPSA82.06 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.48
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of CID 162656306?
The IUPAC name of CID 162656306 (CID 162656306) is not available.
What is the SMILES notation for CID 162656306?
The canonical SMILES for CID 162656306 is CO[C@@H]1C[C@@]2(CC[C@@]3(O2)[C@H](C)C(=O)C[C@H]2C(C)(C)[C@H](O)CC[C@@]23C)C(=O)O1.
What is the InChIKey of CID 162656306?
The InChIKey is ZYNCOAQDKNMIGG-ZXTDIMGXSA-N. The full InChI is InChI=1S/C21H32O6/c1-12-13(22)10-14-18(2,3)15(23)6-7-19(14,4)21(12)9-8-20(27-21)11-16(25-5)26-17(20)24/h12,14-16,23H,6-11H2,1-5H3/t12-,14+,15-,16+,19+,20+,21-/m1/s1.
What are the key properties of CID 162656306?
CID 162656306 has a molecular weight of 380.48 g/mol, XLogP of 2.61, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for CID 162656306 is sourced from PubChem (CID 162656306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).