(3R,5S,6S)-3-[(2S,4R,5R)-4-[[(2S,3aS,6S)-2-phenyl-3a-(phenylmethoxymethyl)-6,6a-dihydro-4H-furo[3,4-d][1,3]dioxol-6-yl]oxy]-5-methyl-3-phenylmethoxyoxan-2-yl]oxy-2,5-dimethyl-6-tri(propan-2-yl)silyloxyoxan-4-ol

C48H68O11Si — CID 158150174

About (3R,5S,6S)-3-[(2S,4R,5R)-4-[[(2S,3aS,6S)-2-phenyl-3a-(phenylmethoxymethyl)-6,6a-dihydro-4H-furo[3,4-d][1,3]dioxol-6-yl]oxy]-5-methyl-3-phenylmethoxyoxan-2-yl]oxy-2,5-dimethyl-6-tri(propan-2-yl)silyloxyoxan-4-ol

(3R,5S,6S)-3-[(2S,4R,5R)-4-[[(2S,3aS,6S)-2-phenyl-3a-(phenylmethoxymethyl)-6,6a-dihydro-4H-furo[3,4-d][1,3]dioxol-6-yl]oxy]-5-methyl-3-phenylmethoxyoxan-2-yl]oxy-2,5-dimethyl-6-tri(propan-2-yl)silyloxyoxan-4-ol (PubChem CID 158150174) has the molecular formula C48H68O11Si and a molecular weight of 849.15 g/mol. Its IUPAC name is (3R,5S,6S)-3-[(2S,4R,5R)-4-[[(2S,3aS,6S)-2-phenyl-3a-(phenylmethoxymethyl)-6,6a-dihydro-4H-furo[3,4-d][1,3]dioxol-6-yl]oxy]-5-methyl-3-phenylmethoxyoxan-2-yl]oxy-2,5-dimethyl-6-tri(propan-2-yl)silyloxyoxan-4-ol.

Molecular Properties

• Compound Name: (3R,5S,6S)-3-[(2S,4R,5R)-4-[[(2S,3aS,6S)-2-phenyl-3a-(phenylmethoxymethyl)-6,6a-dihydro-4H-furo[3,4-d][1,3]dioxol-6-yl]oxy]-5-methyl-3-phenylmethoxyoxan-2-yl]oxy-2,5-dimethyl-6-tri(propan-2-yl)silyloxyoxan-4-ol
• PubChem CID: 158150174
• Molecular Formula: C48H68O11Si
• Molecular Weight: 849.15 g/mol
• Exact Mass: 848.45
• IUPAC Name: (3R,5S,6S)-3-[(2S,4R,5R)-4-[[(2S,3aS,6S)-2-phenyl-3a-(phenylmethoxymethyl)-6,6a-dihydro-4H-furo[3,4-d][1,3]dioxol-6-yl]oxy]-5-methyl-3-phenylmethoxyoxan-2-yl]oxy-2,5-dimethyl-6-tri(propan-2-yl)silyloxyoxan-4-ol
• SMILES: CC1O[C@@H](O[Si](C(C)C)(C(C)C)C(C)C)[C@@H](C)C(O)[C@H]1O[C@@H]1OC[C@@H](C)[C@@H](O[C@@H]2OC[C@]3(COCc4ccccc4)O[C@@H](c4ccccc4)OC23)C1OCc1ccccc1
• InChI: InChI=1S/C48H68O11Si/c1-30(2)60(31(3)4,32(5)6)59-44-34(8)39(49)41(35(9)54-44)56-46-42(51-27-37-21-15-11-16-22-37)40(33(7)25-52-46)55-47-43-48(29-53-47,28-50-26-36-19-13-10-14-20-36)58-45(57-43)38-23-17-12-18-24-38/h10-24,30-35,39-47,49H,25-29H2,1-9H3/t33-,34+,35?,39?,40-,41+,42?,43?,44+,45+,46+,47+,48+/m1/s1
• InChIKey: PFKFRJLKEMDLRI-FMAFCCDKSA-N
• XLogP: 8.69
• TPSA: 112.53 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 11
• Rotatable Bonds: 17
• Heavy Atoms: 60
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	849.15
LogP ≤ 5	8.69
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (3R,5S,6S)-3-[(2S,4R,5R)-4-[[(2S,3aS,6S)-2-phenyl-3a-(phenylmethoxymethyl)-6,6a-dihydro-4H-furo[3,4-d][1,3]dioxol-6-yl]oxy]-5-methyl-3-phenylmethoxyoxan-2-yl]oxy-2,5-dimethyl-6-tri(propan-2-yl)silyloxyoxan-4-ol?

The IUPAC name of (3R,5S,6S)-3-[(2S,4R,5R)-4-[[(2S,3aS,6S)-2-phenyl-3a-(phenylmethoxymethyl)-6,6a-dihydro-4H-furo[3,4-d][1,3]dioxol-6-yl]oxy]-5-methyl-3-phenylmethoxyoxan-2-yl]oxy-2,5-dimethyl-6-tri(propan-2-yl)silyloxyoxan-4-ol (CID 158150174) is (3R,5S,6S)-3-[(2S,4R,5R)-4-[[(2S,3aS,6S)-2-phenyl-3a-(phenylmethoxymethyl)-6,6a-dihydro-4H-furo[3,4-d][1,3]dioxol-6-yl]oxy]-5-methyl-3-phenylmethoxyoxan-2-yl]oxy-2,5-dimethyl-6-tri(propan-2-yl)silyloxyoxan-4-ol.

What is the SMILES notation for (3R,5S,6S)-3-[(2S,4R,5R)-4-[[(2S,3aS,6S)-2-phenyl-3a-(phenylmethoxymethyl)-6,6a-dihydro-4H-furo[3,4-d][1,3]dioxol-6-yl]oxy]-5-methyl-3-phenylmethoxyoxan-2-yl]oxy-2,5-dimethyl-6-tri(propan-2-yl)silyloxyoxan-4-ol?

The canonical SMILES for (3R,5S,6S)-3-[(2S,4R,5R)-4-[[(2S,3aS,6S)-2-phenyl-3a-(phenylmethoxymethyl)-6,6a-dihydro-4H-furo[3,4-d][1,3]dioxol-6-yl]oxy]-5-methyl-3-phenylmethoxyoxan-2-yl]oxy-2,5-dimethyl-6-tri(propan-2-yl)silyloxyoxan-4-ol is CC1O[C@@H](O[Si](C(C)C)(C(C)C)C(C)C)[C@@H](C)C(O)[C@H]1O[C@@H]1OC[C@@H](C)[C@@H](O[C@@H]2OC[C@]3(COCc4ccccc4)O[C@@H](c4ccccc4)OC23)C1OCc1ccccc1.

What is the InChIKey of (3R,5S,6S)-3-[(2S,4R,5R)-4-[[(2S,3aS,6S)-2-phenyl-3a-(phenylmethoxymethyl)-6,6a-dihydro-4H-furo[3,4-d][1,3]dioxol-6-yl]oxy]-5-methyl-3-phenylmethoxyoxan-2-yl]oxy-2,5-dimethyl-6-tri(propan-2-yl)silyloxyoxan-4-ol?

The InChIKey is PFKFRJLKEMDLRI-FMAFCCDKSA-N. The full InChI is InChI=1S/C48H68O11Si/c1-30(2)60(31(3)4,32(5)6)59-44-34(8)39(49)41(35(9)54-44)56-46-42(51-27-37-21-15-11-16-22-37)40(33(7)25-52-46)55-47-43-48(29-53-47,28-50-26-36-19-13-10-14-20-36)58-45(57-43)38-23-17-12-18-24-38/h10-24,30-35,39-47,49H,25-29H2,1-9H3/t33-,34+,35?,39?,40-,41+,42?,43?,44+,45+,46+,47+,48+/m1/s1.

What are the key properties of (3R,5S,6S)-3-[(2S,4R,5R)-4-[[(2S,3aS,6S)-2-phenyl-3a-(phenylmethoxymethyl)-6,6a-dihydro-4H-furo[3,4-d][1,3]dioxol-6-yl]oxy]-5-methyl-3-phenylmethoxyoxan-2-yl]oxy-2,5-dimethyl-6-tri(propan-2-yl)silyloxyoxan-4-ol?

(3R,5S,6S)-3-[(2S,4R,5R)-4-[[(2S,3aS,6S)-2-phenyl-3a-(phenylmethoxymethyl)-6,6a-dihydro-4H-furo[3,4-d][1,3]dioxol-6-yl]oxy]-5-methyl-3-phenylmethoxyoxan-2-yl]oxy-2,5-dimethyl-6-tri(propan-2-yl)silyloxyoxan-4-ol has a molecular weight of 849.15 g/mol, XLogP of 8.69, 17 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for (3R,5S,6S)-3-[(2S,4R,5R)-4-[[(2S,3aS,6S)-2-phenyl-3a-(phenylmethoxymethyl)-6,6a-dihydro-4H-furo[3,4-d][1,3]dioxol-6-yl]oxy]-5-methyl-3-phenylmethoxyoxan-2-yl]oxy-2,5-dimethyl-6-tri(propan-2-yl)silyloxyoxan-4-ol is sourced from PubChem (CID 158150174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).