(1R,2R,3R,8S,8aR)-1,2-bis(phenylmethoxy)-3-(phenylmethoxymethyl)-1,2,3,5,6,7,8,8a-octahydroindolizin-8-ol

C30H35NO4 — CID 10528478

IUPAC(1R,2R,3R,8S,8aR)-1,2-bis(phenylmethoxy)-3-(phenylmethoxymethyl)-1,2,3,5,6,7,8,8a-octahydroindolizin-8-ol
SMILESO[C@H]1CCCN2[C@H]1[C@@H](OCc1ccccc1)[C@H](OCc1ccccc1)[C@H]2COCc1ccccc1
InChIInChI=1S/C30H35NO4/c32-27-17-10-18-31-26(22-33-19-23-11-4-1-5-12-23)29(34-20-24-13-6-2-7-14-24)30(28(27)31)35-21-25-15-8-3-9-16-25/h1-9,11-16,26-30,32H,10,17-22H2/t26-,27+,28-,29-,30-/m1/s1
InChIKeyHJGNQAACWWXCMZ-ONBQWJCTSA-N
MW473.61 g/mol
LogP4.58
Rot. Bonds10

About (1R,2R,3R,8S,8aR)-1,2-bis(phenylmethoxy)-3-(phenylmethoxymethyl)-1,2,3,5,6,7,8,8a-octahydroindolizin-8-ol

(1R,2R,3R,8S,8aR)-1,2-bis(phenylmethoxy)-3-(phenylmethoxymethyl)-1,2,3,5,6,7,8,8a-octahydroindolizin-8-ol (PubChem CID 10528478) has the molecular formula C30H35NO4 and a molecular weight of 473.61 g/mol. Its IUPAC name is (1R,2R,3R,8S,8aR)-1,2-bis(phenylmethoxy)-3-(phenylmethoxymethyl)-1,2,3,5,6,7,8,8a-octahydroindolizin-8-ol.

Molecular Properties

Compound Name(1R,2R,3R,8S,8aR)-1,2-bis(phenylmethoxy)-3-(phenylmethoxymethyl)-1,2,3,5,6,7,8,8a-octahydroindolizin-8-ol
PubChem CID10528478
Molecular FormulaC30H35NO4
Molecular Weight473.61 g/mol
Exact Mass473.26
IUPAC Name(1R,2R,3R,8S,8aR)-1,2-bis(phenylmethoxy)-3-(phenylmethoxymethyl)-1,2,3,5,6,7,8,8a-octahydroindolizin-8-ol
SMILESO[C@H]1CCCN2[C@H]1[C@@H](OCc1ccccc1)[C@H](OCc1ccccc1)[C@H]2COCc1ccccc1
InChIInChI=1S/C30H35NO4/c32-27-17-10-18-31-26(22-33-19-23-11-4-1-5-12-23)29(34-20-24-13-6-2-7-14-24)30(28(27)31)35-21-25-15-8-3-9-16-25/h1-9,11-16,26-30,32H,10,17-22H2/t26-,27+,28-,29-,30-/m1/s1
InChIKeyHJGNQAACWWXCMZ-ONBQWJCTSA-N
XLogP4.58
TPSA51.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.61
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (1R,2R,3R,8S,8aR)-1,2-bis(phenylmethoxy)-3-(phenylmethoxymethyl)-1,2,3,5,6,7,8,8a-octahydroindolizin-8-ol with MolForge

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Related Compounds

(1R,7R,8R,9R,9aS)-7,8,9-tris(phenylmethoxy)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-ol
CID 15287282
(1R,2R,3R,8R,8aS)-8-hydroxy-1,2-bis(phenylmethoxy)-3-(phenylmethoxymethyl)-2,3,6,7,8,8a-hexahydro-1H-indolizin-5-one
CID 10505136
[(1S,5R,6R,7R,8S)-6,7-bis(phenylmethoxy)-5-(phenylmethoxymethyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl]-dimethyl-phenylsilane
CID 57325871
(1S,2R,3S,5S,8aS)-5-methyl-1,2-bis(phenylmethoxy)-3-(phenylmethoxymethyl)-1,2,3,5,6,7,8,8a-octahydroindolizine
CID 46703734
[(2S,3S,4R,5S)-1-benzyl-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)pyrrolidin-2-yl]methanol
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(3S,4S,5S,6R,7S)-1-benzyl-4,5,6-tris(phenylmethoxy)-7-(phenylmethoxymethyl)azepan-3-ol
CID 135009168
(1S,2S,3S,5S,8S)-5-methyl-1,2-bis(phenylmethoxy)-3-(phenylmethoxymethyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizine
CID 46188980
(2R,3R,5R,6R)-2,3-dihydroxy-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)piperidine-1-carboxylic acid
CID 130422396
(1S,2R,8R,8aR)-1,2-bis(phenylmethoxymethoxy)-1,2,3,5,6,7,8,8a-octahydroindolizin-8-ol
CID 15085435
(2S,3S,4S,5S)-1-hydroxy-2-(2-methylprop-2-enyl)-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)pyrrolidine
CID 122363134
dimethyl (2R,3S,3aR,4R,5R,6R)-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)-2,3,3a,4,5,6-hexahydropyrrolo[1,2-b][1,2]oxazole-2,3-dicarboxylate
CID 101233498
(1S,2R,6S,9R,10R,11S)-4-benzyl-10,11-bis(phenylmethoxy)-9-(phenylmethoxymethyl)-7-oxa-4,8-diazatricyclo[6.3.0.02,6]undecane-3,5-dione
CID 10919124

Frequently Asked Questions

What is the IUPAC name of (1R,2R,3R,8S,8aR)-1,2-bis(phenylmethoxy)-3-(phenylmethoxymethyl)-1,2,3,5,6,7,8,8a-octahydroindolizin-8-ol?
The IUPAC name of (1R,2R,3R,8S,8aR)-1,2-bis(phenylmethoxy)-3-(phenylmethoxymethyl)-1,2,3,5,6,7,8,8a-octahydroindolizin-8-ol (CID 10528478) is (1R,2R,3R,8S,8aR)-1,2-bis(phenylmethoxy)-3-(phenylmethoxymethyl)-1,2,3,5,6,7,8,8a-octahydroindolizin-8-ol.
What is the SMILES notation for (1R,2R,3R,8S,8aR)-1,2-bis(phenylmethoxy)-3-(phenylmethoxymethyl)-1,2,3,5,6,7,8,8a-octahydroindolizin-8-ol?
The canonical SMILES for (1R,2R,3R,8S,8aR)-1,2-bis(phenylmethoxy)-3-(phenylmethoxymethyl)-1,2,3,5,6,7,8,8a-octahydroindolizin-8-ol is O[C@H]1CCCN2[C@H]1[C@@H](OCc1ccccc1)[C@H](OCc1ccccc1)[C@H]2COCc1ccccc1.
What is the InChIKey of (1R,2R,3R,8S,8aR)-1,2-bis(phenylmethoxy)-3-(phenylmethoxymethyl)-1,2,3,5,6,7,8,8a-octahydroindolizin-8-ol?
The InChIKey is HJGNQAACWWXCMZ-ONBQWJCTSA-N. The full InChI is InChI=1S/C30H35NO4/c32-27-17-10-18-31-26(22-33-19-23-11-4-1-5-12-23)29(34-20-24-13-6-2-7-14-24)30(28(27)31)35-21-25-15-8-3-9-16-25/h1-9,11-16,26-30,32H,10,17-22H2/t26-,27+,28-,29-,30-/m1/s1.
What are the key properties of (1R,2R,3R,8S,8aR)-1,2-bis(phenylmethoxy)-3-(phenylmethoxymethyl)-1,2,3,5,6,7,8,8a-octahydroindolizin-8-ol?
(1R,2R,3R,8S,8aR)-1,2-bis(phenylmethoxy)-3-(phenylmethoxymethyl)-1,2,3,5,6,7,8,8a-octahydroindolizin-8-ol has a molecular weight of 473.61 g/mol, XLogP of 4.58, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R,3R,8S,8aR)-1,2-bis(phenylmethoxy)-3-(phenylmethoxymethyl)-1,2,3,5,6,7,8,8a-octahydroindolizin-8-ol is sourced from PubChem (CID 10528478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).