CID 162984526

C21H30O6 — CID 162984526

IUPAC—
SMILESCO[C@H]1C[C@]2(CC[C@]3(O2)[C@@H](C)C[C@@H]2OC(=O)[C@]4(C)CCC[C@]3(C)[C@H]24)C(=O)O1
InChIInChI=1S/C21H30O6/c1-12-10-13-15-18(2,16(22)25-13)6-5-7-19(15,3)21(12)9-8-20(27-21)11-14(24-4)26-17(20)23/h12-15H,5-11H2,1-4H3/t12-,13-,14+,15+,18+,19+,20+,21-/m0/s1
InChIKeyNTKKRFQRYGKWKB-ABVYQAPASA-N
MW378.47 g/mol
LogP2.97
Rot. Bonds1

About CID 162984526

CID 162984526 (PubChem CID 162984526) has the molecular formula C21H30O6 and a molecular weight of 378.47 g/mol.

Molecular Properties

Compound NameCID 162984526
PubChem CID162984526
Molecular FormulaC21H30O6
Molecular Weight378.47 g/mol
Exact Mass378.20
IUPAC Name—
SMILESCO[C@H]1C[C@]2(CC[C@]3(O2)[C@@H](C)C[C@@H]2OC(=O)[C@]4(C)CCC[C@]3(C)[C@H]24)C(=O)O1
InChIInChI=1S/C21H30O6/c1-12-10-13-15-18(2,16(22)25-13)6-5-7-19(15,3)21(12)9-8-20(27-21)11-14(24-4)26-17(20)23/h12-15H,5-11H2,1-4H3/t12-,13-,14+,15+,18+,19+,20+,21-/m0/s1
InChIKeyNTKKRFQRYGKWKB-ABVYQAPASA-N
XLogP2.97
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.47
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of CID 162984526?
The IUPAC name of CID 162984526 (CID 162984526) is not available.
What is the SMILES notation for CID 162984526?
The canonical SMILES for CID 162984526 is CO[C@H]1C[C@]2(CC[C@]3(O2)[C@@H](C)C[C@@H]2OC(=O)[C@]4(C)CCC[C@]3(C)[C@H]24)C(=O)O1.
What is the InChIKey of CID 162984526?
The InChIKey is NTKKRFQRYGKWKB-ABVYQAPASA-N. The full InChI is InChI=1S/C21H30O6/c1-12-10-13-15-18(2,16(22)25-13)6-5-7-19(15,3)21(12)9-8-20(27-21)11-14(24-4)26-17(20)23/h12-15H,5-11H2,1-4H3/t12-,13-,14+,15+,18+,19+,20+,21-/m0/s1.
What are the key properties of CID 162984526?
CID 162984526 has a molecular weight of 378.47 g/mol, XLogP of 2.97, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for CID 162984526 is sourced from PubChem (CID 162984526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).