(2R,5R,6R,7R,8R)-2-hydroxy-7-(methoxymethoxy)-6-phenylmethoxy-5-(phenylmethoxymethyl)-1,2,5,6,7,8-hexahydropyrrolizin-3-one

C24H29NO6 — CID 11293261

IUPAC(2R,5R,6R,7R,8R)-2-hydroxy-7-(methoxymethoxy)-6-phenylmethoxy-5-(phenylmethoxymethyl)-1,2,5,6,7,8-hexahydropyrrolizin-3-one
SMILESCOCO[C@H]1[C@H](OCc2ccccc2)[C@@H](COCc2ccccc2)N2C(=O)[C@H](O)C[C@H]12
InChIInChI=1S/C24H29NO6/c1-28-16-31-22-19-12-21(26)24(27)25(19)20(15-29-13-17-8-4-2-5-9-17)23(22)30-14-18-10-6-3-7-11-18/h2-11,19-23,26H,12-16H2,1H3/t19-,20-,21-,22-,23-/m1/s1
InChIKeyAXLOLKKUTRTFIV-GNJRFXKQSA-N
MW427.50 g/mol
LogP2.12
Rot. Bonds10

About (2R,5R,6R,7R,8R)-2-hydroxy-7-(methoxymethoxy)-6-phenylmethoxy-5-(phenylmethoxymethyl)-1,2,5,6,7,8-hexahydropyrrolizin-3-one

(2R,5R,6R,7R,8R)-2-hydroxy-7-(methoxymethoxy)-6-phenylmethoxy-5-(phenylmethoxymethyl)-1,2,5,6,7,8-hexahydropyrrolizin-3-one (PubChem CID 11293261) has the molecular formula C24H29NO6 and a molecular weight of 427.50 g/mol. Its IUPAC name is (2R,5R,6R,7R,8R)-2-hydroxy-7-(methoxymethoxy)-6-phenylmethoxy-5-(phenylmethoxymethyl)-1,2,5,6,7,8-hexahydropyrrolizin-3-one.

Molecular Properties

Compound Name(2R,5R,6R,7R,8R)-2-hydroxy-7-(methoxymethoxy)-6-phenylmethoxy-5-(phenylmethoxymethyl)-1,2,5,6,7,8-hexahydropyrrolizin-3-one
PubChem CID11293261
Molecular FormulaC24H29NO6
Molecular Weight427.50 g/mol
Exact Mass427.20
IUPAC Name(2R,5R,6R,7R,8R)-2-hydroxy-7-(methoxymethoxy)-6-phenylmethoxy-5-(phenylmethoxymethyl)-1,2,5,6,7,8-hexahydropyrrolizin-3-one
SMILESCOCO[C@H]1[C@H](OCc2ccccc2)[C@@H](COCc2ccccc2)N2C(=O)[C@H](O)C[C@H]12
InChIInChI=1S/C24H29NO6/c1-28-16-31-22-19-12-21(26)24(27)25(19)20(15-29-13-17-8-4-2-5-9-17)23(22)30-14-18-10-6-3-7-11-18/h2-11,19-23,26H,12-16H2,1H3/t19-,20-,21-,22-,23-/m1/s1
InChIKeyAXLOLKKUTRTFIV-GNJRFXKQSA-N
XLogP2.12
TPSA77.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.50
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

ethyl (2R,3S,4S)-4-[(3aR,5R,6S,6aR)-2,2-dimethyl-6-phenylmethoxy-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]-4-[benzyl(phenylmethoxycarbonyl)amino]-2,3-dihydroxybutanoate
CID 23731222
benzyl (4aR,6S,7S,7aS)-6-(3-ethoxy-3-oxopropyl)-4a,7-dihydroxy-2,2-dimethyl-4,6,7,7a-tetrahydro-[1,3]dioxino[5,4-b]pyrrole-5-carboxylate
CID 72196634
(2S)-2-[(3aS,4R,6R,6aR)-2,2-dimethyl-6-(trityloxymethyl)-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-N,N-diethyl-2-hydroxyacetamide
CID 134930888
(2S,3aR,4R,8aR,8bS)-2-phenyl-4-(phenylmethoxymethyl)-3a,4,7,8,8a,8b-hexahydro-[1,3]dioxolo[4,5-a]pyrrolizin-6-one
CID 135022498
(1R,2S,3R,5S,6S,7S,8S)-2-(methoxymethoxy)-3-methyl-6,7-bis(phenylmethoxy)-5-(phenylmethoxymethyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ol
CID 139037396
(1S,2S,5R,6R,7R,8S)-1-[dimethyl(phenyl)silyl]-2-hydroxy-6,7-bis(phenylmethoxy)-5-(phenylmethoxymethyl)-1,2,5,6,7,8-hexahydropyrrolizin-3-one
CID 25223736
(2R,5R,6R,7R,8R)-2-hydroxy-6,7-bis(phenylmethoxy)-5-(phenylmethoxymethyl)-1,2,5,6,7,8-hexahydropyrrolizin-3-one
CID 49843754
methyl (1S,2R,5R,6R,7R,8R)-2-hydroxy-3-oxo-6,7-bis(phenylmethoxy)-5-(phenylmethoxymethyl)-1,2,5,6,7,8-hexahydropyrrolizine-1-carboxylate
CID 49843861
[(2R,5R,6R,7R,8R)-3-oxo-6,7-bis(phenylmethoxy)-5-(phenylmethoxymethyl)-1,2,5,6,7,8-hexahydropyrrolizin-2-yl] methanesulfonate
CID 101233501
2-hydroxy-4-(3-phenylmethoxyoctyl)-3,3a,6,6a-tetrahydro-2H-furo[3,2-b]pyrrol-5-one
CID 20530949
9-hydroxy-2,2-dimethyl-8-(2-phenylmethoxyethyl)-4,7,8,9,9a,9b-hexahydro-3aH-[1,3]dioxolo[4,5-a]indolizin-6-one
CID 21363997
1-[(2S,3R,5S)-3-hydroxy-5-tridecyl-2-[[3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxymethyl]pyrrolidin-1-yl]hexacosan-1-one
CID 57828514

Frequently Asked Questions

What is the IUPAC name of (2R,5R,6R,7R,8R)-2-hydroxy-7-(methoxymethoxy)-6-phenylmethoxy-5-(phenylmethoxymethyl)-1,2,5,6,7,8-hexahydropyrrolizin-3-one?
The IUPAC name of (2R,5R,6R,7R,8R)-2-hydroxy-7-(methoxymethoxy)-6-phenylmethoxy-5-(phenylmethoxymethyl)-1,2,5,6,7,8-hexahydropyrrolizin-3-one (CID 11293261) is (2R,5R,6R,7R,8R)-2-hydroxy-7-(methoxymethoxy)-6-phenylmethoxy-5-(phenylmethoxymethyl)-1,2,5,6,7,8-hexahydropyrrolizin-3-one.
What is the SMILES notation for (2R,5R,6R,7R,8R)-2-hydroxy-7-(methoxymethoxy)-6-phenylmethoxy-5-(phenylmethoxymethyl)-1,2,5,6,7,8-hexahydropyrrolizin-3-one?
The canonical SMILES for (2R,5R,6R,7R,8R)-2-hydroxy-7-(methoxymethoxy)-6-phenylmethoxy-5-(phenylmethoxymethyl)-1,2,5,6,7,8-hexahydropyrrolizin-3-one is COCO[C@H]1[C@H](OCc2ccccc2)[C@@H](COCc2ccccc2)N2C(=O)[C@H](O)C[C@H]12.
What is the InChIKey of (2R,5R,6R,7R,8R)-2-hydroxy-7-(methoxymethoxy)-6-phenylmethoxy-5-(phenylmethoxymethyl)-1,2,5,6,7,8-hexahydropyrrolizin-3-one?
The InChIKey is AXLOLKKUTRTFIV-GNJRFXKQSA-N. The full InChI is InChI=1S/C24H29NO6/c1-28-16-31-22-19-12-21(26)24(27)25(19)20(15-29-13-17-8-4-2-5-9-17)23(22)30-14-18-10-6-3-7-11-18/h2-11,19-23,26H,12-16H2,1H3/t19-,20-,21-,22-,23-/m1/s1.
What are the key properties of (2R,5R,6R,7R,8R)-2-hydroxy-7-(methoxymethoxy)-6-phenylmethoxy-5-(phenylmethoxymethyl)-1,2,5,6,7,8-hexahydropyrrolizin-3-one?
(2R,5R,6R,7R,8R)-2-hydroxy-7-(methoxymethoxy)-6-phenylmethoxy-5-(phenylmethoxymethyl)-1,2,5,6,7,8-hexahydropyrrolizin-3-one has a molecular weight of 427.50 g/mol, XLogP of 2.12, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,5R,6R,7R,8R)-2-hydroxy-7-(methoxymethoxy)-6-phenylmethoxy-5-(phenylmethoxymethyl)-1,2,5,6,7,8-hexahydropyrrolizin-3-one is sourced from PubChem (CID 11293261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).