(2Z,4R,7Z)-8-[5-(hydroxymethyl)furan-2-yl]-7-pyridin-2-ylocta-2,7-diene-1,4-diol

C18H21NO4 — CID 23776786

IUPAC(2Z,4R,7Z)-8-[5-(hydroxymethyl)furan-2-yl]-7-pyridin-2-ylocta-2,7-diene-1,4-diol
SMILESOC/C=C\[C@H](O)CC/C(=C/c1ccc(CO)o1)c1ccccn1
InChIInChI=1S/C18H21NO4/c20-11-3-4-15(22)7-6-14(18-5-1-2-10-19-18)12-16-8-9-17(13-21)23-16/h1-5,8-10,12,15,20-22H,6-7,11,13H2/b4-3-,14-12-/t15-/m0/s1
InChIKeyXYNKJIRFGADXOV-WVWXBUMVSA-N
MW315.37 g/mol
LogP2.40
Rot. Bonds8

About (2Z,4R,7Z)-8-[5-(hydroxymethyl)furan-2-yl]-7-pyridin-2-ylocta-2,7-diene-1,4-diol

(2Z,4R,7Z)-8-[5-(hydroxymethyl)furan-2-yl]-7-pyridin-2-ylocta-2,7-diene-1,4-diol (PubChem CID 23776786) has the molecular formula C18H21NO4 and a molecular weight of 315.37 g/mol. Its IUPAC name is (2Z,4R,7Z)-8-[5-(hydroxymethyl)furan-2-yl]-7-pyridin-2-ylocta-2,7-diene-1,4-diol.

Molecular Properties

Compound Name(2Z,4R,7Z)-8-[5-(hydroxymethyl)furan-2-yl]-7-pyridin-2-ylocta-2,7-diene-1,4-diol
PubChem CID23776786
Molecular FormulaC18H21NO4
Molecular Weight315.37 g/mol
Exact Mass315.15
IUPAC Name(2Z,4R,7Z)-8-[5-(hydroxymethyl)furan-2-yl]-7-pyridin-2-ylocta-2,7-diene-1,4-diol
SMILESOC/C=C\[C@H](O)CC/C(=C/c1ccc(CO)o1)c1ccccn1
InChIInChI=1S/C18H21NO4/c20-11-3-4-15(22)7-6-14(18-5-1-2-10-19-18)12-16-8-9-17(13-21)23-16/h1-5,8-10,12,15,20-22H,6-7,11,13H2/b4-3-,14-12-/t15-/m0/s1
InChIKeyXYNKJIRFGADXOV-WVWXBUMVSA-N
XLogP2.40
TPSA86.72 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.37
LogP ≤ 52.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2Z,4R,7Z)-8-[5-(hydroxymethyl)furan-2-yl]-7-pyridin-2-ylocta-2,7-diene-1,4-diol?
The IUPAC name of (2Z,4R,7Z)-8-[5-(hydroxymethyl)furan-2-yl]-7-pyridin-2-ylocta-2,7-diene-1,4-diol (CID 23776786) is (2Z,4R,7Z)-8-[5-(hydroxymethyl)furan-2-yl]-7-pyridin-2-ylocta-2,7-diene-1,4-diol.
What is the SMILES notation for (2Z,4R,7Z)-8-[5-(hydroxymethyl)furan-2-yl]-7-pyridin-2-ylocta-2,7-diene-1,4-diol?
The canonical SMILES for (2Z,4R,7Z)-8-[5-(hydroxymethyl)furan-2-yl]-7-pyridin-2-ylocta-2,7-diene-1,4-diol is OC/C=C\[C@H](O)CC/C(=C/c1ccc(CO)o1)c1ccccn1.
What is the InChIKey of (2Z,4R,7Z)-8-[5-(hydroxymethyl)furan-2-yl]-7-pyridin-2-ylocta-2,7-diene-1,4-diol?
The InChIKey is XYNKJIRFGADXOV-WVWXBUMVSA-N. The full InChI is InChI=1S/C18H21NO4/c20-11-3-4-15(22)7-6-14(18-5-1-2-10-19-18)12-16-8-9-17(13-21)23-16/h1-5,8-10,12,15,20-22H,6-7,11,13H2/b4-3-,14-12-/t15-/m0/s1.
What are the key properties of (2Z,4R,7Z)-8-[5-(hydroxymethyl)furan-2-yl]-7-pyridin-2-ylocta-2,7-diene-1,4-diol?
(2Z,4R,7Z)-8-[5-(hydroxymethyl)furan-2-yl]-7-pyridin-2-ylocta-2,7-diene-1,4-diol has a molecular weight of 315.37 g/mol, XLogP of 2.40, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,4R,7Z)-8-[5-(hydroxymethyl)furan-2-yl]-7-pyridin-2-ylocta-2,7-diene-1,4-diol is sourced from PubChem (CID 23776786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).