(3S,4R)-4-[(5S)-5H-imidazo[5,1-a]isoindol-5-yl]oxolan-3-ol;(3S,4R)-4-[(5R)-5H-imidazo[5,1-a]isoindol-5-yl]oxolan-3-ol;(3R,4S)-4-[(5S)-5H-imidazo[5,1-a]isoindol-5-yl]oxolan-3-ol;(3R,4S)-4-[(5R)-5H-imidazo[5,1-a]isoindol-5-yl]oxolan-3-ol

C56H56N8O8 — CID 159695654

IUPAC(3S,4R)-4-[(5S)-5H-imidazo[5,1-a]isoindol-5-yl]oxolan-3-ol;(3S,4R)-4-[(5R)-5H-imidazo[5,1-a]isoindol-5-yl]oxolan-3-ol;(3R,4S)-4-[(5S)-5H-imidazo[5,1-a]isoindol-5-yl]oxolan-3-ol;(3R,4S)-4-[(5R)-5H-imidazo[5,1-a]isoindol-5-yl]oxolan-3-ol
SMILESO[C@@H]1COC[C@H]1[C@@H]1c2ccccc2-c2cncn21.O[C@@H]1COC[C@H]1[C@H]1c2ccccc2-c2cncn21.O[C@H]1COC[C@@H]1[C@@H]1c2ccccc2-c2cncn21.O[C@H]1COC[C@@H]1[C@H]1c2ccccc2-c2cncn21
InChIInChI=1S/4C14H14N2O2/c4*17-13-7-18-6-11(13)14-10-4-2-1-3-9(10)12-5-15-8-16(12)14/h4*1-5,8,11,13-14,17H,6-7H2/t2*11-,13-,14+;2*11-,13-,14-/m1010/s1
InChIKeyMWYVOTUIRABCKU-LNIAVHSRSA-N
MW969.11 g/mol
LogP5.84
Rot. Bonds4

About (3S,4R)-4-[(5S)-5H-imidazo[5,1-a]isoindol-5-yl]oxolan-3-ol;(3S,4R)-4-[(5R)-5H-imidazo[5,1-a]isoindol-5-yl]oxolan-3-ol;(3R,4S)-4-[(5S)-5H-imidazo[5,1-a]isoindol-5-yl]oxolan-3-ol;(3R,4S)-4-[(5R)-5H-imidazo[5,1-a]isoindol-5-yl]oxolan-3-ol

(3S,4R)-4-[(5S)-5H-imidazo[5,1-a]isoindol-5-yl]oxolan-3-ol;(3S,4R)-4-[(5R)-5H-imidazo[5,1-a]isoindol-5-yl]oxolan-3-ol;(3R,4S)-4-[(5S)-5H-imidazo[5,1-a]isoindol-5-yl]oxolan-3-ol;(3R,4S)-4-[(5R)-5H-imidazo[5,1-a]isoindol-5-yl]oxolan-3-ol (PubChem CID 159695654) has the molecular formula C56H56N8O8 and a molecular weight of 969.11 g/mol. Its IUPAC name is (3S,4R)-4-[(5S)-5H-imidazo[5,1-a]isoindol-5-yl]oxolan-3-ol;(3S,4R)-4-[(5R)-5H-imidazo[5,1-a]isoindol-5-yl]oxolan-3-ol;(3R,4S)-4-[(5S)-5H-imidazo[5,1-a]isoindol-5-yl]oxolan-3-ol;(3R,4S)-4-[(5R)-5H-imidazo[5,1-a]isoindol-5-yl]oxolan-3-ol.

Molecular Properties

Compound Name(3S,4R)-4-[(5S)-5H-imidazo[5,1-a]isoindol-5-yl]oxolan-3-ol;(3S,4R)-4-[(5R)-5H-imidazo[5,1-a]isoindol-5-yl]oxolan-3-ol;(3R,4S)-4-[(5S)-5H-imidazo[5,1-a]isoindol-5-yl]oxolan-3-ol;(3R,4S)-4-[(5R)-5H-imidazo[5,1-a]isoindol-5-yl]oxolan-3-ol
PubChem CID159695654
Molecular FormulaC56H56N8O8
Molecular Weight969.11 g/mol
Exact Mass968.42
IUPAC Name(3S,4R)-4-[(5S)-5H-imidazo[5,1-a]isoindol-5-yl]oxolan-3-ol;(3S,4R)-4-[(5R)-5H-imidazo[5,1-a]isoindol-5-yl]oxolan-3-ol;(3R,4S)-4-[(5S)-5H-imidazo[5,1-a]isoindol-5-yl]oxolan-3-ol;(3R,4S)-4-[(5R)-5H-imidazo[5,1-a]isoindol-5-yl]oxolan-3-ol
SMILESO[C@@H]1COC[C@H]1[C@@H]1c2ccccc2-c2cncn21.O[C@@H]1COC[C@H]1[C@H]1c2ccccc2-c2cncn21.O[C@H]1COC[C@@H]1[C@@H]1c2ccccc2-c2cncn21.O[C@H]1COC[C@@H]1[C@H]1c2ccccc2-c2cncn21
InChIInChI=1S/4C14H14N2O2/c4*17-13-7-18-6-11(13)14-10-4-2-1-3-9(10)12-5-15-8-16(12)14/h4*1-5,8,11,13-14,17H,6-7H2/t2*11-,13-,14+;2*11-,13-,14-/m1010/s1
InChIKeyMWYVOTUIRABCKU-LNIAVHSRSA-N
XLogP5.84
TPSA189.12 Ų
H-Bond Donors4
H-Bond Acceptors16
Rotatable Bonds4
Heavy Atoms72
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500969.11
LogP ≤ 55.84
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1016

Analyze (3S,4R)-4-[(5S)-5H-imidazo[5,1-a]isoindol-5-yl]oxolan-3-ol;(3S,4R)-4-[(5R)-5H-imidazo[5,1-a]isoindol-5-yl]oxolan-3-ol;(3R,4S)-4-[(5S)-5H-imidazo[5,1-a]isoindol-5-yl]oxolan-3-ol;(3R,4S)-4-[(5R)-5H-imidazo[5,1-a]isoindol-5-yl]oxolan-3-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of (3S,4R)-4-[(5S)-5H-imidazo[5,1-a]isoindol-5-yl]oxolan-3-ol;(3S,4R)-4-[(5R)-5H-imidazo[5,1-a]isoindol-5-yl]oxolan-3-ol;(3R,4S)-4-[(5S)-5H-imidazo[5,1-a]isoindol-5-yl]oxolan-3-ol;(3R,4S)-4-[(5R)-5H-imidazo[5,1-a]isoindol-5-yl]oxolan-3-ol?
The IUPAC name of (3S,4R)-4-[(5S)-5H-imidazo[5,1-a]isoindol-5-yl]oxolan-3-ol;(3S,4R)-4-[(5R)-5H-imidazo[5,1-a]isoindol-5-yl]oxolan-3-ol;(3R,4S)-4-[(5S)-5H-imidazo[5,1-a]isoindol-5-yl]oxolan-3-ol;(3R,4S)-4-[(5R)-5H-imidazo[5,1-a]isoindol-5-yl]oxolan-3-ol (CID 159695654) is (3S,4R)-4-[(5S)-5H-imidazo[5,1-a]isoindol-5-yl]oxolan-3-ol;(3S,4R)-4-[(5R)-5H-imidazo[5,1-a]isoindol-5-yl]oxolan-3-ol;(3R,4S)-4-[(5S)-5H-imidazo[5,1-a]isoindol-5-yl]oxolan-3-ol;(3R,4S)-4-[(5R)-5H-imidazo[5,1-a]isoindol-5-yl]oxolan-3-ol.
What is the SMILES notation for (3S,4R)-4-[(5S)-5H-imidazo[5,1-a]isoindol-5-yl]oxolan-3-ol;(3S,4R)-4-[(5R)-5H-imidazo[5,1-a]isoindol-5-yl]oxolan-3-ol;(3R,4S)-4-[(5S)-5H-imidazo[5,1-a]isoindol-5-yl]oxolan-3-ol;(3R,4S)-4-[(5R)-5H-imidazo[5,1-a]isoindol-5-yl]oxolan-3-ol?
The canonical SMILES for (3S,4R)-4-[(5S)-5H-imidazo[5,1-a]isoindol-5-yl]oxolan-3-ol;(3S,4R)-4-[(5R)-5H-imidazo[5,1-a]isoindol-5-yl]oxolan-3-ol;(3R,4S)-4-[(5S)-5H-imidazo[5,1-a]isoindol-5-yl]oxolan-3-ol;(3R,4S)-4-[(5R)-5H-imidazo[5,1-a]isoindol-5-yl]oxolan-3-ol is O[C@@H]1COC[C@H]1[C@@H]1c2ccccc2-c2cncn21.O[C@@H]1COC[C@H]1[C@H]1c2ccccc2-c2cncn21.O[C@H]1COC[C@@H]1[C@@H]1c2ccccc2-c2cncn21.O[C@H]1COC[C@@H]1[C@H]1c2ccccc2-c2cncn21.
What is the InChIKey of (3S,4R)-4-[(5S)-5H-imidazo[5,1-a]isoindol-5-yl]oxolan-3-ol;(3S,4R)-4-[(5R)-5H-imidazo[5,1-a]isoindol-5-yl]oxolan-3-ol;(3R,4S)-4-[(5S)-5H-imidazo[5,1-a]isoindol-5-yl]oxolan-3-ol;(3R,4S)-4-[(5R)-5H-imidazo[5,1-a]isoindol-5-yl]oxolan-3-ol?
The InChIKey is MWYVOTUIRABCKU-LNIAVHSRSA-N. The full InChI is InChI=1S/4C14H14N2O2/c4*17-13-7-18-6-11(13)14-10-4-2-1-3-9(10)12-5-15-8-16(12)14/h4*1-5,8,11,13-14,17H,6-7H2/t2*11-,13-,14+;2*11-,13-,14-/m1010/s1.
What are the key properties of (3S,4R)-4-[(5S)-5H-imidazo[5,1-a]isoindol-5-yl]oxolan-3-ol;(3S,4R)-4-[(5R)-5H-imidazo[5,1-a]isoindol-5-yl]oxolan-3-ol;(3R,4S)-4-[(5S)-5H-imidazo[5,1-a]isoindol-5-yl]oxolan-3-ol;(3R,4S)-4-[(5R)-5H-imidazo[5,1-a]isoindol-5-yl]oxolan-3-ol?
(3S,4R)-4-[(5S)-5H-imidazo[5,1-a]isoindol-5-yl]oxolan-3-ol;(3S,4R)-4-[(5R)-5H-imidazo[5,1-a]isoindol-5-yl]oxolan-3-ol;(3R,4S)-4-[(5S)-5H-imidazo[5,1-a]isoindol-5-yl]oxolan-3-ol;(3R,4S)-4-[(5R)-5H-imidazo[5,1-a]isoindol-5-yl]oxolan-3-ol has a molecular weight of 969.11 g/mol, XLogP of 5.84, 4 rotatable bonds, 4 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R)-4-[(5S)-5H-imidazo[5,1-a]isoindol-5-yl]oxolan-3-ol;(3S,4R)-4-[(5R)-5H-imidazo[5,1-a]isoindol-5-yl]oxolan-3-ol;(3R,4S)-4-[(5S)-5H-imidazo[5,1-a]isoindol-5-yl]oxolan-3-ol;(3R,4S)-4-[(5R)-5H-imidazo[5,1-a]isoindol-5-yl]oxolan-3-ol is sourced from PubChem (CID 159695654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).