CID 67519365

C22H34O7 — CID 67519365

IUPAC—
SMILESCCCC(=O)[C@@]1(O)[C@@H](O)[C@@H]2OC3(CCCCC3)O[C@H]2[C@@H]2OC3(CCCCC3)O[C@@H]21
InChIInChI=1S/C22H34O7/c1-2-9-14(23)22(25)18(24)16-15(26-20(27-16)10-5-3-6-11-20)17-19(22)29-21(28-17)12-7-4-8-13-21/h15-19,24-25H,2-13H2,1H3/t15-,16-,17+,18+,19+,22-/m1/s1
InChIKeyQGUJLAKTVLYHGP-RYBCORMDSA-N
MW410.51 g/mol
LogP2.35
Rot. Bonds3

About CID 67519365

CID 67519365 (PubChem CID 67519365) has the molecular formula C22H34O7 and a molecular weight of 410.51 g/mol.

Molecular Properties

Compound NameCID 67519365
PubChem CID67519365
Molecular FormulaC22H34O7
Molecular Weight410.51 g/mol
Exact Mass410.23
IUPAC Name—
SMILESCCCC(=O)[C@@]1(O)[C@@H](O)[C@@H]2OC3(CCCCC3)O[C@H]2[C@@H]2OC3(CCCCC3)O[C@@H]21
InChIInChI=1S/C22H34O7/c1-2-9-14(23)22(25)18(24)16-15(26-20(27-16)10-5-3-6-11-20)17-19(22)29-21(28-17)12-7-4-8-13-21/h15-19,24-25H,2-13H2,1H3/t15-,16-,17+,18+,19+,22-/m1/s1
InChIKeyQGUJLAKTVLYHGP-RYBCORMDSA-N
XLogP2.35
TPSA94.45 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.51
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of CID 67519365?
The IUPAC name of CID 67519365 (CID 67519365) is not available.
What is the SMILES notation for CID 67519365?
The canonical SMILES for CID 67519365 is CCCC(=O)[C@@]1(O)[C@@H](O)[C@@H]2OC3(CCCCC3)O[C@H]2[C@@H]2OC3(CCCCC3)O[C@@H]21.
What is the InChIKey of CID 67519365?
The InChIKey is QGUJLAKTVLYHGP-RYBCORMDSA-N. The full InChI is InChI=1S/C22H34O7/c1-2-9-14(23)22(25)18(24)16-15(26-20(27-16)10-5-3-6-11-20)17-19(22)29-21(28-17)12-7-4-8-13-21/h15-19,24-25H,2-13H2,1H3/t15-,16-,17+,18+,19+,22-/m1/s1.
What are the key properties of CID 67519365?
CID 67519365 has a molecular weight of 410.51 g/mol, XLogP of 2.35, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for CID 67519365 is sourced from PubChem (CID 67519365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).