(2R,3R,5R)-5-acridin-3-yl-2-(hydroxymethyl)oxolan-3-ol

C18H17NO3 — CID 59119117

IUPAC(2R,3R,5R)-5-acridin-3-yl-2-(hydroxymethyl)oxolan-3-ol
SMILESOC[C@H]1O[C@@H](c2ccc3cc4ccccc4nc3c2)C[C@H]1O
InChIInChI=1S/C18H17NO3/c20-10-18-16(21)9-17(22-18)13-6-5-12-7-11-3-1-2-4-14(11)19-15(12)8-13/h1-8,16-18,20-21H,9-10H2/t16-,17-,18-/m1/s1
InChIKeyHEHKNYDCGOMXIL-KZNAEPCWSA-N
MW295.34 g/mol
LogP2.57
Rot. Bonds2

About (2R,3R,5R)-5-acridin-3-yl-2-(hydroxymethyl)oxolan-3-ol

(2R,3R,5R)-5-acridin-3-yl-2-(hydroxymethyl)oxolan-3-ol (PubChem CID 59119117) has the molecular formula C18H17NO3 and a molecular weight of 295.34 g/mol. Its IUPAC name is (2R,3R,5R)-5-acridin-3-yl-2-(hydroxymethyl)oxolan-3-ol.

Molecular Properties

Compound Name(2R,3R,5R)-5-acridin-3-yl-2-(hydroxymethyl)oxolan-3-ol
PubChem CID59119117
Molecular FormulaC18H17NO3
Molecular Weight295.34 g/mol
Exact Mass295.12
IUPAC Name(2R,3R,5R)-5-acridin-3-yl-2-(hydroxymethyl)oxolan-3-ol
SMILESOC[C@H]1O[C@@H](c2ccc3cc4ccccc4nc3c2)C[C@H]1O
InChIInChI=1S/C18H17NO3/c20-10-18-16(21)9-17(22-18)13-6-5-12-7-11-3-1-2-4-14(11)19-15(12)8-13/h1-8,16-18,20-21H,9-10H2/t16-,17-,18-/m1/s1
InChIKeyHEHKNYDCGOMXIL-KZNAEPCWSA-N
XLogP2.57
TPSA62.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

(2R)-5-acridin-3-yl-2-(hydroxymethyl)oxolan-3-ol
CID 59919961
(2R)-5-chrysen-3-yl-2-(hydroxymethyl)oxolan-3-ol
CID 59919947
(2R,5S)-2-(hydroxymethyl)-5-(6-naphthalen-2-ylnaphthalen-2-yl)oxolan-3-ol
CID 71067480
(2R,3S,5R)-2-(hydroxymethyl)-5-(7-phenylnaphthalen-2-yl)oxolan-3-ol
CID 23661140
(3R,5R)-2-(hydroxymethyl)-5-naphthalen-1-yloxolan-3-ol
CID 174024474
(2R,3R,5R)-2-(hydroxymethyl)-5-(4-phenyldiazenylphenyl)oxolan-3-ol
CID 59119138
(2R,3S)-2-(hydroxymethyl)-5-naphthalen-1-yloxolan-3-ol
CID 66870779
2-(hydroxymethyl)-5-[4-[2-[4-(2-phenylethynyl)phenyl]ethynyl]phenyl]oxolan-3-ol
CID 22897703
(2R,3S,5S)-2-(hydroxymethyl)-5-[3-[(E)-2-phenylethenyl]phenyl]oxolan-3-ol
CID 11702098
(2R,3S,5R)-2-(hydroxymethyl)-5-phenanthren-1-yloxolan-3-ol
CID 23660970
[4-[(2R,4R,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]phenyl]-phenylmethanone
CID 135021118
(2R,3S)-2-(hydroxymethyl)-5-pyren-1-yloxolan-3-ol
CID 87769450

Frequently Asked Questions

What is the IUPAC name of (2R,3R,5R)-5-acridin-3-yl-2-(hydroxymethyl)oxolan-3-ol?
The IUPAC name of (2R,3R,5R)-5-acridin-3-yl-2-(hydroxymethyl)oxolan-3-ol (CID 59119117) is (2R,3R,5R)-5-acridin-3-yl-2-(hydroxymethyl)oxolan-3-ol.
What is the SMILES notation for (2R,3R,5R)-5-acridin-3-yl-2-(hydroxymethyl)oxolan-3-ol?
The canonical SMILES for (2R,3R,5R)-5-acridin-3-yl-2-(hydroxymethyl)oxolan-3-ol is OC[C@H]1O[C@@H](c2ccc3cc4ccccc4nc3c2)C[C@H]1O.
What is the InChIKey of (2R,3R,5R)-5-acridin-3-yl-2-(hydroxymethyl)oxolan-3-ol?
The InChIKey is HEHKNYDCGOMXIL-KZNAEPCWSA-N. The full InChI is InChI=1S/C18H17NO3/c20-10-18-16(21)9-17(22-18)13-6-5-12-7-11-3-1-2-4-14(11)19-15(12)8-13/h1-8,16-18,20-21H,9-10H2/t16-,17-,18-/m1/s1.
What are the key properties of (2R,3R,5R)-5-acridin-3-yl-2-(hydroxymethyl)oxolan-3-ol?
(2R,3R,5R)-5-acridin-3-yl-2-(hydroxymethyl)oxolan-3-ol has a molecular weight of 295.34 g/mol, XLogP of 2.57, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,5R)-5-acridin-3-yl-2-(hydroxymethyl)oxolan-3-ol is sourced from PubChem (CID 59119117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).