(1S,2R,7R,8R)-7-tri(propan-2-yl)silyloxy-2,3,5,6,7,8-hexahydro-1H-pyrrolizine-1,2-diol

C16H33NO3Si — CID 11023484

IUPAC(1S,2R,7R,8R)-7-tri(propan-2-yl)silyloxy-2,3,5,6,7,8-hexahydro-1H-pyrrolizine-1,2-diol
SMILESCC(C)[Si](O[C@@H]1CCN2C[C@@H](O)[C@@H](O)[C@H]12)(C(C)C)C(C)C
InChIInChI=1S/C16H33NO3Si/c1-10(2)21(11(3)4,12(5)6)20-14-7-8-17-9-13(18)16(19)15(14)17/h10-16,18-19H,7-9H2,1-6H3/t13-,14-,15+,16-/m1/s1
InChIKeyZDRWUVLYRYTZPT-LVQVYYBASA-N
MW315.53 g/mol
LogP2.36
Rot. Bonds5

About (1S,2R,7R,8R)-7-tri(propan-2-yl)silyloxy-2,3,5,6,7,8-hexahydro-1H-pyrrolizine-1,2-diol

(1S,2R,7R,8R)-7-tri(propan-2-yl)silyloxy-2,3,5,6,7,8-hexahydro-1H-pyrrolizine-1,2-diol (PubChem CID 11023484) has the molecular formula C16H33NO3Si and a molecular weight of 315.53 g/mol. Its IUPAC name is (1S,2R,7R,8R)-7-tri(propan-2-yl)silyloxy-2,3,5,6,7,8-hexahydro-1H-pyrrolizine-1,2-diol.

Molecular Properties

Compound Name(1S,2R,7R,8R)-7-tri(propan-2-yl)silyloxy-2,3,5,6,7,8-hexahydro-1H-pyrrolizine-1,2-diol
PubChem CID11023484
Molecular FormulaC16H33NO3Si
Molecular Weight315.53 g/mol
Exact Mass315.22
IUPAC Name(1S,2R,7R,8R)-7-tri(propan-2-yl)silyloxy-2,3,5,6,7,8-hexahydro-1H-pyrrolizine-1,2-diol
SMILESCC(C)[Si](O[C@@H]1CCN2C[C@@H](O)[C@@H](O)[C@H]12)(C(C)C)C(C)C
InChIInChI=1S/C16H33NO3Si/c1-10(2)21(11(3)4,12(5)6)20-14-7-8-17-9-13(18)16(19)15(14)17/h10-16,18-19H,7-9H2,1-6H3/t13-,14-,15+,16-/m1/s1
InChIKeyZDRWUVLYRYTZPT-LVQVYYBASA-N
XLogP2.36
TPSA52.93 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.53
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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,7R,8R)-7-tri(propan-2-yl)silyloxy-2,3,5,6,7,8-hexahydro-1H-pyrrolizine-1,2-diol?
The IUPAC name of (1S,2R,7R,8R)-7-tri(propan-2-yl)silyloxy-2,3,5,6,7,8-hexahydro-1H-pyrrolizine-1,2-diol (CID 11023484) is (1S,2R,7R,8R)-7-tri(propan-2-yl)silyloxy-2,3,5,6,7,8-hexahydro-1H-pyrrolizine-1,2-diol.
What is the SMILES notation for (1S,2R,7R,8R)-7-tri(propan-2-yl)silyloxy-2,3,5,6,7,8-hexahydro-1H-pyrrolizine-1,2-diol?
The canonical SMILES for (1S,2R,7R,8R)-7-tri(propan-2-yl)silyloxy-2,3,5,6,7,8-hexahydro-1H-pyrrolizine-1,2-diol is CC(C)[Si](O[C@@H]1CCN2C[C@@H](O)[C@@H](O)[C@H]12)(C(C)C)C(C)C.
What is the InChIKey of (1S,2R,7R,8R)-7-tri(propan-2-yl)silyloxy-2,3,5,6,7,8-hexahydro-1H-pyrrolizine-1,2-diol?
The InChIKey is ZDRWUVLYRYTZPT-LVQVYYBASA-N. The full InChI is InChI=1S/C16H33NO3Si/c1-10(2)21(11(3)4,12(5)6)20-14-7-8-17-9-13(18)16(19)15(14)17/h10-16,18-19H,7-9H2,1-6H3/t13-,14-,15+,16-/m1/s1.
What are the key properties of (1S,2R,7R,8R)-7-tri(propan-2-yl)silyloxy-2,3,5,6,7,8-hexahydro-1H-pyrrolizine-1,2-diol?
(1S,2R,7R,8R)-7-tri(propan-2-yl)silyloxy-2,3,5,6,7,8-hexahydro-1H-pyrrolizine-1,2-diol has a molecular weight of 315.53 g/mol, XLogP of 2.36, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2R,7R,8R)-7-tri(propan-2-yl)silyloxy-2,3,5,6,7,8-hexahydro-1H-pyrrolizine-1,2-diol is sourced from PubChem (CID 11023484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).