CID 2265261

C28H33NO6 — CID 2265261

IUPAC—
SMILESO=C(Nc1cccc2ccccc12)[C@@H]1O[C@H]2OC3(CCCCC3)O[C@@H]2[C@H]2OC3(CCCCC3)O[C@H]21
InChIInChI=1S/C28H33NO6/c30-25(29-20-13-9-11-18-10-3-4-12-19(18)20)23-21-22(33-27(32-21)14-5-1-6-15-27)24-26(31-23)35-28(34-24)16-7-2-8-17-28/h3-4,9-13,21-24,26H,1-2,5-8,14-17H2,(H,29,30)/t21-,22+,23-,24-,26+/m1/s1
InChIKeyIYOLBWZBSSAWQE-UMCRWDIXSA-N
MW479.57 g/mol
LogP5.02
Rot. Bonds2

About CID 2265261

CID 2265261 (PubChem CID 2265261) has the molecular formula C28H33NO6 and a molecular weight of 479.57 g/mol.

Molecular Properties

Compound NameCID 2265261
PubChem CID2265261
Molecular FormulaC28H33NO6
Molecular Weight479.57 g/mol
Exact Mass479.23
IUPAC Name—
SMILESO=C(Nc1cccc2ccccc12)[C@@H]1O[C@H]2OC3(CCCCC3)O[C@@H]2[C@H]2OC3(CCCCC3)O[C@H]21
InChIInChI=1S/C28H33NO6/c30-25(29-20-13-9-11-18-10-3-4-12-19(18)20)23-21-22(33-27(32-21)14-5-1-6-15-27)24-26(31-23)35-28(34-24)16-7-2-8-17-28/h3-4,9-13,21-24,26H,1-2,5-8,14-17H2,(H,29,30)/t21-,22+,23-,24-,26+/m1/s1
InChIKeyIYOLBWZBSSAWQE-UMCRWDIXSA-N
XLogP5.02
TPSA75.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500479.57
LogP ≤ 55.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of CID 2265261?
The IUPAC name of CID 2265261 (CID 2265261) is not available.
What is the SMILES notation for CID 2265261?
The canonical SMILES for CID 2265261 is O=C(Nc1cccc2ccccc12)[C@@H]1O[C@H]2OC3(CCCCC3)O[C@@H]2[C@H]2OC3(CCCCC3)O[C@H]21.
What is the InChIKey of CID 2265261?
The InChIKey is IYOLBWZBSSAWQE-UMCRWDIXSA-N. The full InChI is InChI=1S/C28H33NO6/c30-25(29-20-13-9-11-18-10-3-4-12-19(18)20)23-21-22(33-27(32-21)14-5-1-6-15-27)24-26(31-23)35-28(34-24)16-7-2-8-17-28/h3-4,9-13,21-24,26H,1-2,5-8,14-17H2,(H,29,30)/t21-,22+,23-,24-,26+/m1/s1.
What are the key properties of CID 2265261?
CID 2265261 has a molecular weight of 479.57 g/mol, XLogP of 5.02, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for CID 2265261 is sourced from PubChem (CID 2265261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).