tert-butyl-[(2S,3S,6S)-6-[(2R,3R,4S,5R,6S)-6-methoxy-4,5-bis(phenylmethoxy)-2-(phenylmethoxymethyl)oxan-3-yl]oxy-2-methyloxan-3-yl]oxy-dimethylsilane

C40H56O8Si — CID 10919538

About tert-butyl-[(2S,3S,6S)-6-[(2R,3R,4S,5R,6S)-6-methoxy-4,5-bis(phenylmethoxy)-2-(phenylmethoxymethyl)oxan-3-yl]oxy-2-methyloxan-3-yl]oxy-dimethylsilane

tert-butyl-[(2S,3S,6S)-6-[(2R,3R,4S,5R,6S)-6-methoxy-4,5-bis(phenylmethoxy)-2-(phenylmethoxymethyl)oxan-3-yl]oxy-2-methyloxan-3-yl]oxy-dimethylsilane (PubChem CID 10919538) has the molecular formula C40H56O8Si and a molecular weight of 692.97 g/mol. Its IUPAC name is tert-butyl-[(2S,3S,6S)-6-[(2R,3R,4S,5R,6S)-6-methoxy-4,5-bis(phenylmethoxy)-2-(phenylmethoxymethyl)oxan-3-yl]oxy-2-methyloxan-3-yl]oxy-dimethylsilane.

Molecular Properties

• Compound Name: tert-butyl-[(2S,3S,6S)-6-[(2R,3R,4S,5R,6S)-6-methoxy-4,5-bis(phenylmethoxy)-2-(phenylmethoxymethyl)oxan-3-yl]oxy-2-methyloxan-3-yl]oxy-dimethylsilane
• PubChem CID: 10919538
• Molecular Formula: C40H56O8Si
• Molecular Weight: 692.97 g/mol
• Exact Mass: 692.37
• IUPAC Name: tert-butyl-[(2S,3S,6S)-6-[(2R,3R,4S,5R,6S)-6-methoxy-4,5-bis(phenylmethoxy)-2-(phenylmethoxymethyl)oxan-3-yl]oxy-2-methyloxan-3-yl]oxy-dimethylsilane
• SMILES: CO[C@H]1O[C@H](COCc2ccccc2)[C@@H](O[C@H]2CC[C@H](O[Si](C)(C)C(C)(C)C)[C@H](C)O2)[C@H](OCc2ccccc2)[C@H]1OCc1ccccc1
• InChI: InChI=1S/C40H56O8Si/c1-29-33(48-49(6,7)40(2,3)4)23-24-35(45-29)47-36-34(28-42-25-30-17-11-8-12-18-30)46-39(41-5)38(44-27-32-21-15-10-16-22-32)37(36)43-26-31-19-13-9-14-20-31/h8-22,29,33-39H,23-28H2,1-7H3/t29-,33-,34+,35-,36+,37-,38+,39-/m0/s1
• InChIKey: RUHWDOMWEFNVNJ-AOEVQXAJSA-N
• XLogP: 8.05
• TPSA: 73.84 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 15
• Heavy Atoms: 49
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	692.97
LogP ≤ 5	8.05
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(2S,3S,6S)-6-[(2R,3R,4S,5R,6S)-6-methoxy-4,5-bis(phenylmethoxy)-2-(phenylmethoxymethyl)oxan-3-yl]oxy-2-methyloxan-3-yl]oxy-dimethylsilane?

The IUPAC name of tert-butyl-[(2S,3S,6S)-6-[(2R,3R,4S,5R,6S)-6-methoxy-4,5-bis(phenylmethoxy)-2-(phenylmethoxymethyl)oxan-3-yl]oxy-2-methyloxan-3-yl]oxy-dimethylsilane (CID 10919538) is tert-butyl-[(2S,3S,6S)-6-[(2R,3R,4S,5R,6S)-6-methoxy-4,5-bis(phenylmethoxy)-2-(phenylmethoxymethyl)oxan-3-yl]oxy-2-methyloxan-3-yl]oxy-dimethylsilane.

What is the SMILES notation for tert-butyl-[(2S,3S,6S)-6-[(2R,3R,4S,5R,6S)-6-methoxy-4,5-bis(phenylmethoxy)-2-(phenylmethoxymethyl)oxan-3-yl]oxy-2-methyloxan-3-yl]oxy-dimethylsilane?

The canonical SMILES for tert-butyl-[(2S,3S,6S)-6-[(2R,3R,4S,5R,6S)-6-methoxy-4,5-bis(phenylmethoxy)-2-(phenylmethoxymethyl)oxan-3-yl]oxy-2-methyloxan-3-yl]oxy-dimethylsilane is CO[C@H]1O[C@H](COCc2ccccc2)[C@@H](O[C@H]2CC[C@H](O[Si](C)(C)C(C)(C)C)[C@H](C)O2)[C@H](OCc2ccccc2)[C@H]1OCc1ccccc1.

What is the InChIKey of tert-butyl-[(2S,3S,6S)-6-[(2R,3R,4S,5R,6S)-6-methoxy-4,5-bis(phenylmethoxy)-2-(phenylmethoxymethyl)oxan-3-yl]oxy-2-methyloxan-3-yl]oxy-dimethylsilane?

The InChIKey is RUHWDOMWEFNVNJ-AOEVQXAJSA-N. The full InChI is InChI=1S/C40H56O8Si/c1-29-33(48-49(6,7)40(2,3)4)23-24-35(45-29)47-36-34(28-42-25-30-17-11-8-12-18-30)46-39(41-5)38(44-27-32-21-15-10-16-22-32)37(36)43-26-31-19-13-9-14-20-31/h8-22,29,33-39H,23-28H2,1-7H3/t29-,33-,34+,35-,36+,37-,38+,39-/m0/s1.

What are the key properties of tert-butyl-[(2S,3S,6S)-6-[(2R,3R,4S,5R,6S)-6-methoxy-4,5-bis(phenylmethoxy)-2-(phenylmethoxymethyl)oxan-3-yl]oxy-2-methyloxan-3-yl]oxy-dimethylsilane?

tert-butyl-[(2S,3S,6S)-6-[(2R,3R,4S,5R,6S)-6-methoxy-4,5-bis(phenylmethoxy)-2-(phenylmethoxymethyl)oxan-3-yl]oxy-2-methyloxan-3-yl]oxy-dimethylsilane has a molecular weight of 692.97 g/mol, XLogP of 8.05, 15 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl-[(2S,3S,6S)-6-[(2R,3R,4S,5R,6S)-6-methoxy-4,5-bis(phenylmethoxy)-2-(phenylmethoxymethyl)oxan-3-yl]oxy-2-methyloxan-3-yl]oxy-dimethylsilane is sourced from PubChem (CID 10919538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).