(1S,2R,6S,7S,8S)-6,7-bis(phenylmethoxy)-2,3,5,6,7,8-hexahydro-1H-pyrrolizine-1,2-diol

C21H25NO4 — CID 11566573

IUPAC(1S,2R,6S,7S,8S)-6,7-bis(phenylmethoxy)-2,3,5,6,7,8-hexahydro-1H-pyrrolizine-1,2-diol
SMILESO[C@H]1[C@H]2[C@H](OCc3ccccc3)[C@@H](OCc3ccccc3)CN2C[C@H]1O
InChIInChI=1S/C21H25NO4/c23-17-11-22-12-18(25-13-15-7-3-1-4-8-15)21(19(22)20(17)24)26-14-16-9-5-2-6-10-16/h1-10,17-21,23-24H,11-14H2/t17-,18+,19+,20-,21-/m1/s1
InChIKeyFLSAHPDOYGHJRL-XDWAVFMPSA-N
MW355.43 g/mol
LogP1.58
Rot. Bonds6

About (1S,2R,6S,7S,8S)-6,7-bis(phenylmethoxy)-2,3,5,6,7,8-hexahydro-1H-pyrrolizine-1,2-diol

(1S,2R,6S,7S,8S)-6,7-bis(phenylmethoxy)-2,3,5,6,7,8-hexahydro-1H-pyrrolizine-1,2-diol (PubChem CID 11566573) has the molecular formula C21H25NO4 and a molecular weight of 355.43 g/mol. Its IUPAC name is (1S,2R,6S,7S,8S)-6,7-bis(phenylmethoxy)-2,3,5,6,7,8-hexahydro-1H-pyrrolizine-1,2-diol.

Molecular Properties

Compound Name(1S,2R,6S,7S,8S)-6,7-bis(phenylmethoxy)-2,3,5,6,7,8-hexahydro-1H-pyrrolizine-1,2-diol
PubChem CID11566573
Molecular FormulaC21H25NO4
Molecular Weight355.43 g/mol
Exact Mass355.18
IUPAC Name(1S,2R,6S,7S,8S)-6,7-bis(phenylmethoxy)-2,3,5,6,7,8-hexahydro-1H-pyrrolizine-1,2-diol
SMILESO[C@H]1[C@H]2[C@H](OCc3ccccc3)[C@@H](OCc3ccccc3)CN2C[C@H]1O
InChIInChI=1S/C21H25NO4/c23-17-11-22-12-18(25-13-15-7-3-1-4-8-15)21(19(22)20(17)24)26-14-16-9-5-2-6-10-16/h1-10,17-21,23-24H,11-14H2/t17-,18+,19+,20-,21-/m1/s1
InChIKeyFLSAHPDOYGHJRL-XDWAVFMPSA-N
XLogP1.58
TPSA62.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.43
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (1S,2R,6S,7S,8S)-6,7-bis(phenylmethoxy)-2,3,5,6,7,8-hexahydro-1H-pyrrolizine-1,2-diol with MolForge

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Related Compounds

(1R,2S,6S,7S,8S)-6,7-bis(phenylmethoxy)-2,3,5,6,7,8-hexahydro-1H-pyrrolizine-1,2-diol
CID 11530497
(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
(1S,6S,7R,8R,8aS)-1,6,7,8-tetrakis(phenylmethoxy)-1,2,3,5,6,7,8,8a-octahydroindolizine
CID 11124483
(1S,2S,5R,6R,7R,8R)-5-(hydroxymethyl)-6,7-bis(phenylmethoxy)-2,3,5,6,7,8-hexahydro-1H-pyrrolizine-1,2-diol
CID 11303686
(1S,3R,4R)-3,4,5,6-tetrakis(phenylmethoxy)cyclohexane-1,2-diol
CID 59435860
(1S,2S,3R,4R,5R,6R)-3,4,5,6-tetrakis(phenylmethoxy)cyclohexane-1,2-diol
CID 102195211
(3S,4R,5R,6R)-1-benzyl-6-(hydroxymethyl)-5-phenylmethoxypiperidine-3,4-diol
CID 45101725
(1R,2S,3S,4R,6R)-2,3,4,6-tetrakis(phenylmethoxy)cyclohexan-1-ol
CID 11756568
(1S,2S,3R,4S,5R,6S)-3,5,6-tris(phenylmethoxy)cyclohexane-1,2,4-triol
CID 10671261
(1S,2R,3R,4S,5R,6R)-3,5,6-tris(phenylmethoxy)cyclohexane-1,2,4-triol
CID 101254496
(1R,2S,3R,4S,5S,6R)-3,5,6-tris(phenylmethoxy)cyclohexane-1,2,4-triol
CID 6548176
(3S,5R)-3,4,5-tris(phenylmethoxy)piperidine-1-carbaldehyde
CID 175873716

Frequently Asked Questions

What is the IUPAC name of (1S,2R,6S,7S,8S)-6,7-bis(phenylmethoxy)-2,3,5,6,7,8-hexahydro-1H-pyrrolizine-1,2-diol?
The IUPAC name of (1S,2R,6S,7S,8S)-6,7-bis(phenylmethoxy)-2,3,5,6,7,8-hexahydro-1H-pyrrolizine-1,2-diol (CID 11566573) is (1S,2R,6S,7S,8S)-6,7-bis(phenylmethoxy)-2,3,5,6,7,8-hexahydro-1H-pyrrolizine-1,2-diol.
What is the SMILES notation for (1S,2R,6S,7S,8S)-6,7-bis(phenylmethoxy)-2,3,5,6,7,8-hexahydro-1H-pyrrolizine-1,2-diol?
The canonical SMILES for (1S,2R,6S,7S,8S)-6,7-bis(phenylmethoxy)-2,3,5,6,7,8-hexahydro-1H-pyrrolizine-1,2-diol is O[C@H]1[C@H]2[C@H](OCc3ccccc3)[C@@H](OCc3ccccc3)CN2C[C@H]1O.
What is the InChIKey of (1S,2R,6S,7S,8S)-6,7-bis(phenylmethoxy)-2,3,5,6,7,8-hexahydro-1H-pyrrolizine-1,2-diol?
The InChIKey is FLSAHPDOYGHJRL-XDWAVFMPSA-N. The full InChI is InChI=1S/C21H25NO4/c23-17-11-22-12-18(25-13-15-7-3-1-4-8-15)21(19(22)20(17)24)26-14-16-9-5-2-6-10-16/h1-10,17-21,23-24H,11-14H2/t17-,18+,19+,20-,21-/m1/s1.
What are the key properties of (1S,2R,6S,7S,8S)-6,7-bis(phenylmethoxy)-2,3,5,6,7,8-hexahydro-1H-pyrrolizine-1,2-diol?
(1S,2R,6S,7S,8S)-6,7-bis(phenylmethoxy)-2,3,5,6,7,8-hexahydro-1H-pyrrolizine-1,2-diol has a molecular weight of 355.43 g/mol, XLogP of 1.58, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2R,6S,7S,8S)-6,7-bis(phenylmethoxy)-2,3,5,6,7,8-hexahydro-1H-pyrrolizine-1,2-diol is sourced from PubChem (CID 11566573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).