(1S,2R,3S,5S,8R)-3,5-bis[[dimethyl(phenyl)silyl]methyl]-2,3,5,6,7,8-hexahydro-1H-pyrrolizine-1,2-diol

C25H37NO2Si2 — CID 71713415

IUPAC(1S,2R,3S,5S,8R)-3,5-bis[[dimethyl(phenyl)silyl]methyl]-2,3,5,6,7,8-hexahydro-1H-pyrrolizine-1,2-diol
SMILESC[Si](C)(C[C@@H]1CC[C@@H]2[C@H](O)[C@H](O)[C@@H](C[Si](C)(C)c3ccccc3)N12)c1ccccc1
InChIInChI=1S/C25H37NO2Si2/c1-29(2,20-11-7-5-8-12-20)17-19-15-16-22-24(27)25(28)23(26(19)22)18-30(3,4)21-13-9-6-10-14-21/h5-14,19,22-25,27-28H,15-18H2,1-4H3/t19-,22+,23+,24-,25+/m0/s1
InChIKeyOEFKGIWVRHZNFP-WQPRPRDESA-N
MW439.75 g/mol
LogP3.15
Rot. Bonds6

About (1S,2R,3S,5S,8R)-3,5-bis[[dimethyl(phenyl)silyl]methyl]-2,3,5,6,7,8-hexahydro-1H-pyrrolizine-1,2-diol

(1S,2R,3S,5S,8R)-3,5-bis[[dimethyl(phenyl)silyl]methyl]-2,3,5,6,7,8-hexahydro-1H-pyrrolizine-1,2-diol (PubChem CID 71713415) has the molecular formula C25H37NO2Si2 and a molecular weight of 439.75 g/mol. Its IUPAC name is (1S,2R,3S,5S,8R)-3,5-bis[[dimethyl(phenyl)silyl]methyl]-2,3,5,6,7,8-hexahydro-1H-pyrrolizine-1,2-diol.

Molecular Properties

Compound Name(1S,2R,3S,5S,8R)-3,5-bis[[dimethyl(phenyl)silyl]methyl]-2,3,5,6,7,8-hexahydro-1H-pyrrolizine-1,2-diol
PubChem CID71713415
Molecular FormulaC25H37NO2Si2
Molecular Weight439.75 g/mol
Exact Mass439.24
IUPAC Name(1S,2R,3S,5S,8R)-3,5-bis[[dimethyl(phenyl)silyl]methyl]-2,3,5,6,7,8-hexahydro-1H-pyrrolizine-1,2-diol
SMILESC[Si](C)(C[C@@H]1CC[C@@H]2[C@H](O)[C@H](O)[C@@H](C[Si](C)(C)c3ccccc3)N12)c1ccccc1
InChIInChI=1S/C25H37NO2Si2/c1-29(2,20-11-7-5-8-12-20)17-19-15-16-22-24(27)25(28)23(26(19)22)18-30(3,4)21-13-9-6-10-14-21/h5-14,19,22-25,27-28H,15-18H2,1-4H3/t19-,22+,23+,24-,25+/m0/s1
InChIKeyOEFKGIWVRHZNFP-WQPRPRDESA-N
XLogP3.15
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.75
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (1S,2R,3S,5S,8R)-3,5-bis[[dimethyl(phenyl)silyl]methyl]-2,3,5,6,7,8-hexahydro-1H-pyrrolizine-1,2-diol?
The IUPAC name of (1S,2R,3S,5S,8R)-3,5-bis[[dimethyl(phenyl)silyl]methyl]-2,3,5,6,7,8-hexahydro-1H-pyrrolizine-1,2-diol (CID 71713415) is (1S,2R,3S,5S,8R)-3,5-bis[[dimethyl(phenyl)silyl]methyl]-2,3,5,6,7,8-hexahydro-1H-pyrrolizine-1,2-diol.
What is the SMILES notation for (1S,2R,3S,5S,8R)-3,5-bis[[dimethyl(phenyl)silyl]methyl]-2,3,5,6,7,8-hexahydro-1H-pyrrolizine-1,2-diol?
The canonical SMILES for (1S,2R,3S,5S,8R)-3,5-bis[[dimethyl(phenyl)silyl]methyl]-2,3,5,6,7,8-hexahydro-1H-pyrrolizine-1,2-diol is C[Si](C)(C[C@@H]1CC[C@@H]2[C@H](O)[C@H](O)[C@@H](C[Si](C)(C)c3ccccc3)N12)c1ccccc1.
What is the InChIKey of (1S,2R,3S,5S,8R)-3,5-bis[[dimethyl(phenyl)silyl]methyl]-2,3,5,6,7,8-hexahydro-1H-pyrrolizine-1,2-diol?
The InChIKey is OEFKGIWVRHZNFP-WQPRPRDESA-N. The full InChI is InChI=1S/C25H37NO2Si2/c1-29(2,20-11-7-5-8-12-20)17-19-15-16-22-24(27)25(28)23(26(19)22)18-30(3,4)21-13-9-6-10-14-21/h5-14,19,22-25,27-28H,15-18H2,1-4H3/t19-,22+,23+,24-,25+/m0/s1.
What are the key properties of (1S,2R,3S,5S,8R)-3,5-bis[[dimethyl(phenyl)silyl]methyl]-2,3,5,6,7,8-hexahydro-1H-pyrrolizine-1,2-diol?
(1S,2R,3S,5S,8R)-3,5-bis[[dimethyl(phenyl)silyl]methyl]-2,3,5,6,7,8-hexahydro-1H-pyrrolizine-1,2-diol has a molecular weight of 439.75 g/mol, XLogP of 3.15, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2R,3S,5S,8R)-3,5-bis[[dimethyl(phenyl)silyl]methyl]-2,3,5,6,7,8-hexahydro-1H-pyrrolizine-1,2-diol is sourced from PubChem (CID 71713415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).