Leucasperol (A/B)

C20H32O5 — CID 44583853

IUPAC—
SMILESC[C@@H]1CC(=O)[C@H]2C(C)(C)[C@@H](O)CC[C@]2(C)[C@@]12CC[C@@]1(CCOC1O)O2
InChIInChI=1S/C20H32O5/c1-12-11-13(21)15-17(2,3)14(22)5-6-18(15,4)20(12)8-7-19(25-20)9-10-24-16(19)23/h12,14-16,22-23H,5-11H2,1-4H3/t12-,14+,15+,16?,18+,19+,20-/m1/s1
InChIKeyPITIZJDONNHGKA-OMTRXLGISA-N
MW352.47 g/mol
LogP2.43
Rot. Bonds

About Leucasperol (A/B)

Leucasperol (A/B) (PubChem CID 44583853) has the molecular formula C20H32O5 and a molecular weight of 352.47 g/mol.

Molecular Properties

Compound NameLeucasperol (A/B)
PubChem CID44583853
Molecular FormulaC20H32O5
Molecular Weight352.47 g/mol
Exact Mass352.22
IUPAC Name—
SMILESC[C@@H]1CC(=O)[C@H]2C(C)(C)[C@@H](O)CC[C@]2(C)[C@@]12CC[C@@]1(CCOC1O)O2
InChIInChI=1S/C20H32O5/c1-12-11-13(21)15-17(2,3)14(22)5-6-18(15,4)20(12)8-7-19(25-20)9-10-24-16(19)23/h12,14-16,22-23H,5-11H2,1-4H3/t12-,14+,15+,16?,18+,19+,20-/m1/s1
InChIKeyPITIZJDONNHGKA-OMTRXLGISA-N
XLogP2.43
TPSA75.99 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.47
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of Leucasperol (A/B)?
The IUPAC name of Leucasperol (A/B) (CID 44583853) is not available.
What is the SMILES notation for Leucasperol (A/B)?
The canonical SMILES for Leucasperol (A/B) is C[C@@H]1CC(=O)[C@H]2C(C)(C)[C@@H](O)CC[C@]2(C)[C@@]12CC[C@@]1(CCOC1O)O2.
What is the InChIKey of Leucasperol (A/B)?
The InChIKey is PITIZJDONNHGKA-OMTRXLGISA-N. The full InChI is InChI=1S/C20H32O5/c1-12-11-13(21)15-17(2,3)14(22)5-6-18(15,4)20(12)8-7-19(25-20)9-10-24-16(19)23/h12,14-16,22-23H,5-11H2,1-4H3/t12-,14+,15+,16?,18+,19+,20-/m1/s1.
What are the key properties of Leucasperol (A/B)?
Leucasperol (A/B) has a molecular weight of 352.47 g/mol, XLogP of 2.43, 0 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for Leucasperol (A/B) is sourced from PubChem (CID 44583853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).