(4S,5R)-2-[3-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-chlorophenyl]-6-(hydroxymethyl)-2-methoxyoxane-3,4,5-triol

C30H37ClO7Si — CID 58446364

About (4S,5R)-2-[3-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-chlorophenyl]-6-(hydroxymethyl)-2-methoxyoxane-3,4,5-triol

(4S,5R)-2-[3-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-chlorophenyl]-6-(hydroxymethyl)-2-methoxyoxane-3,4,5-triol (PubChem CID 58446364) has the molecular formula C30H37ClO7Si and a molecular weight of 573.16 g/mol. Its IUPAC name is (4S,5R)-2-[3-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-chlorophenyl]-6-(hydroxymethyl)-2-methoxyoxane-3,4,5-triol.

Molecular Properties

• Compound Name: (4S,5R)-2-[3-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-chlorophenyl]-6-(hydroxymethyl)-2-methoxyoxane-3,4,5-triol
• PubChem CID: 58446364
• Molecular Formula: C30H37ClO7Si
• Molecular Weight: 573.16 g/mol
• Exact Mass: 572.20
• IUPAC Name: (4S,5R)-2-[3-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-chlorophenyl]-6-(hydroxymethyl)-2-methoxyoxane-3,4,5-triol
• SMILES: COC1(c2ccc(Cl)c(CO[Si](c3ccccc3)(c3ccccc3)C(C)(C)C)c2)OC(CO)[C@H](O)[C@H](O)C1O
• InChI: InChI=1S/C30H37ClO7Si/c1-29(2,3)39(22-11-7-5-8-12-22,23-13-9-6-10-14-23)37-19-20-17-21(15-16-24(20)31)30(36-4)28(35)27(34)26(33)25(18-32)38-30/h5-17,25-28,32-35H,18-19H2,1-4H3/t25?,26-,27-,28?,30?/m0/s1
• InChIKey: HOSXHIDAYFALDJ-OGUGJIFTSA-N
• XLogP: 2.69
• TPSA: 108.61 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	573.16
LogP ≤ 5	2.69
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (4S,5R)-2-[3-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-chlorophenyl]-6-(hydroxymethyl)-2-methoxyoxane-3,4,5-triol?

The IUPAC name of (4S,5R)-2-[3-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-chlorophenyl]-6-(hydroxymethyl)-2-methoxyoxane-3,4,5-triol (CID 58446364) is (4S,5R)-2-[3-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-chlorophenyl]-6-(hydroxymethyl)-2-methoxyoxane-3,4,5-triol.

What is the SMILES notation for (4S,5R)-2-[3-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-chlorophenyl]-6-(hydroxymethyl)-2-methoxyoxane-3,4,5-triol?

The canonical SMILES for (4S,5R)-2-[3-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-chlorophenyl]-6-(hydroxymethyl)-2-methoxyoxane-3,4,5-triol is COC1(c2ccc(Cl)c(CO[Si](c3ccccc3)(c3ccccc3)C(C)(C)C)c2)OC(CO)[C@H](O)[C@H](O)C1O.

What is the InChIKey of (4S,5R)-2-[3-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-chlorophenyl]-6-(hydroxymethyl)-2-methoxyoxane-3,4,5-triol?

The InChIKey is HOSXHIDAYFALDJ-OGUGJIFTSA-N. The full InChI is InChI=1S/C30H37ClO7Si/c1-29(2,3)39(22-11-7-5-8-12-22,23-13-9-6-10-14-23)37-19-20-17-21(15-16-24(20)31)30(36-4)28(35)27(34)26(33)25(18-32)38-30/h5-17,25-28,32-35H,18-19H2,1-4H3/t25?,26-,27-,28?,30?/m0/s1.

What are the key properties of (4S,5R)-2-[3-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-chlorophenyl]-6-(hydroxymethyl)-2-methoxyoxane-3,4,5-triol?

(4S,5R)-2-[3-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-chlorophenyl]-6-(hydroxymethyl)-2-methoxyoxane-3,4,5-triol has a molecular weight of 573.16 g/mol, XLogP of 2.69, 8 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for (4S,5R)-2-[3-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-chlorophenyl]-6-(hydroxymethyl)-2-methoxyoxane-3,4,5-triol is sourced from PubChem (CID 58446364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).