[(4aR,6R,7S,8S,8aR)-6-[(2R,3R,4S,5R,6S)-6-methoxy-4,5-bis(phenylmethoxy)-2-(phenylmethoxymethyl)oxan-3-yl]oxy-2-phenyl-7-prop-2-enoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-yl]oxy-tert-butyl-dimethylsilane

C50H64O11Si — CID 102349963

About [(4aR,6R,7S,8S,8aR)-6-[(2R,3R,4S,5R,6S)-6-methoxy-4,5-bis(phenylmethoxy)-2-(phenylmethoxymethyl)oxan-3-yl]oxy-2-phenyl-7-prop-2-enoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-yl]oxy-tert-butyl-dimethylsilane

[(4aR,6R,7S,8S,8aR)-6-[(2R,3R,4S,5R,6S)-6-methoxy-4,5-bis(phenylmethoxy)-2-(phenylmethoxymethyl)oxan-3-yl]oxy-2-phenyl-7-prop-2-enoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-yl]oxy-tert-butyl-dimethylsilane (PubChem CID 102349963) has the molecular formula C50H64O11Si and a molecular weight of 869.14 g/mol. Its IUPAC name is [(4aR,6R,7S,8S,8aR)-6-[(2R,3R,4S,5R,6S)-6-methoxy-4,5-bis(phenylmethoxy)-2-(phenylmethoxymethyl)oxan-3-yl]oxy-2-phenyl-7-prop-2-enoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-yl]oxy-tert-butyl-dimethylsilane.

Molecular Properties

• Compound Name: [(4aR,6R,7S,8S,8aR)-6-[(2R,3R,4S,5R,6S)-6-methoxy-4,5-bis(phenylmethoxy)-2-(phenylmethoxymethyl)oxan-3-yl]oxy-2-phenyl-7-prop-2-enoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-yl]oxy-tert-butyl-dimethylsilane
• PubChem CID: 102349963
• Molecular Formula: C50H64O11Si
• Molecular Weight: 869.14 g/mol
• Exact Mass: 868.42
• IUPAC Name: [(4aR,6R,7S,8S,8aR)-6-[(2R,3R,4S,5R,6S)-6-methoxy-4,5-bis(phenylmethoxy)-2-(phenylmethoxymethyl)oxan-3-yl]oxy-2-phenyl-7-prop-2-enoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-yl]oxy-tert-butyl-dimethylsilane
• SMILES: C=CCO[C@@H]1[C@@H](O[C@H]2[C@H](OCc3ccccc3)[C@@H](OCc3ccccc3)[C@@H](OC)O[C@@H]2COCc2ccccc2)O[C@@H]2COC(c3ccccc3)O[C@H]2[C@@H]1O[Si](C)(C)C(C)(C)C
• InChI: InChI=1S/C50H64O11Si/c1-8-29-53-46-44(61-62(6,7)50(2,3)4)42-40(34-56-47(59-42)38-27-19-12-20-28-38)58-49(46)60-41-39(33-52-30-35-21-13-9-14-22-35)57-48(51-5)45(55-32-37-25-17-11-18-26-37)43(41)54-31-36-23-15-10-16-24-36/h8-28,39-49H,1,29-34H2,2-7H3/t39-,40-,41-,42-,43+,44+,45-,46+,47?,48+,49-/m1/s1
• InChIKey: LACWDJRGXOIOFC-PHZWIQDISA-N
• XLogP: 8.93
• TPSA: 101.53 Ų
• H-Bond Acceptors: 11
• Rotatable Bonds: 19
• Heavy Atoms: 62
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	869.14
LogP ≤ 5	8.93
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [(4aR,6R,7S,8S,8aR)-6-[(2R,3R,4S,5R,6S)-6-methoxy-4,5-bis(phenylmethoxy)-2-(phenylmethoxymethyl)oxan-3-yl]oxy-2-phenyl-7-prop-2-enoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-yl]oxy-tert-butyl-dimethylsilane?

The IUPAC name of [(4aR,6R,7S,8S,8aR)-6-[(2R,3R,4S,5R,6S)-6-methoxy-4,5-bis(phenylmethoxy)-2-(phenylmethoxymethyl)oxan-3-yl]oxy-2-phenyl-7-prop-2-enoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-yl]oxy-tert-butyl-dimethylsilane (CID 102349963) is [(4aR,6R,7S,8S,8aR)-6-[(2R,3R,4S,5R,6S)-6-methoxy-4,5-bis(phenylmethoxy)-2-(phenylmethoxymethyl)oxan-3-yl]oxy-2-phenyl-7-prop-2-enoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-yl]oxy-tert-butyl-dimethylsilane.

What is the SMILES notation for [(4aR,6R,7S,8S,8aR)-6-[(2R,3R,4S,5R,6S)-6-methoxy-4,5-bis(phenylmethoxy)-2-(phenylmethoxymethyl)oxan-3-yl]oxy-2-phenyl-7-prop-2-enoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-yl]oxy-tert-butyl-dimethylsilane?

The canonical SMILES for [(4aR,6R,7S,8S,8aR)-6-[(2R,3R,4S,5R,6S)-6-methoxy-4,5-bis(phenylmethoxy)-2-(phenylmethoxymethyl)oxan-3-yl]oxy-2-phenyl-7-prop-2-enoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-yl]oxy-tert-butyl-dimethylsilane is C=CCO[C@@H]1[C@@H](O[C@H]2[C@H](OCc3ccccc3)[C@@H](OCc3ccccc3)[C@@H](OC)O[C@@H]2COCc2ccccc2)O[C@@H]2COC(c3ccccc3)O[C@H]2[C@@H]1O[Si](C)(C)C(C)(C)C.

What is the InChIKey of [(4aR,6R,7S,8S,8aR)-6-[(2R,3R,4S,5R,6S)-6-methoxy-4,5-bis(phenylmethoxy)-2-(phenylmethoxymethyl)oxan-3-yl]oxy-2-phenyl-7-prop-2-enoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-yl]oxy-tert-butyl-dimethylsilane?

The InChIKey is LACWDJRGXOIOFC-PHZWIQDISA-N. The full InChI is InChI=1S/C50H64O11Si/c1-8-29-53-46-44(61-62(6,7)50(2,3)4)42-40(34-56-47(59-42)38-27-19-12-20-28-38)58-49(46)60-41-39(33-52-30-35-21-13-9-14-22-35)57-48(51-5)45(55-32-37-25-17-11-18-26-37)43(41)54-31-36-23-15-10-16-24-36/h8-28,39-49H,1,29-34H2,2-7H3/t39-,40-,41-,42-,43+,44+,45-,46+,47?,48+,49-/m1/s1.

What are the key properties of [(4aR,6R,7S,8S,8aR)-6-[(2R,3R,4S,5R,6S)-6-methoxy-4,5-bis(phenylmethoxy)-2-(phenylmethoxymethyl)oxan-3-yl]oxy-2-phenyl-7-prop-2-enoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-yl]oxy-tert-butyl-dimethylsilane?

[(4aR,6R,7S,8S,8aR)-6-[(2R,3R,4S,5R,6S)-6-methoxy-4,5-bis(phenylmethoxy)-2-(phenylmethoxymethyl)oxan-3-yl]oxy-2-phenyl-7-prop-2-enoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-yl]oxy-tert-butyl-dimethylsilane has a molecular weight of 869.14 g/mol, XLogP of 8.93, 19 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for [(4aR,6R,7S,8S,8aR)-6-[(2R,3R,4S,5R,6S)-6-methoxy-4,5-bis(phenylmethoxy)-2-(phenylmethoxymethyl)oxan-3-yl]oxy-2-phenyl-7-prop-2-enoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-yl]oxy-tert-butyl-dimethylsilane is sourced from PubChem (CID 102349963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).