(3R,6R)-6-[(2R,5R)-5-(3-methylbut-2-enoxy)-3,4-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxy-4,5-bis(phenylmethoxy)-2-(phenylmethoxymethyl)oxan-3-ol

C59H66O11 — CID 153065809

About (3R,6R)-6-[(2R,5R)-5-(3-methylbut-2-enoxy)-3,4-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxy-4,5-bis(phenylmethoxy)-2-(phenylmethoxymethyl)oxan-3-ol

(3R,6R)-6-[(2R,5R)-5-(3-methylbut-2-enoxy)-3,4-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxy-4,5-bis(phenylmethoxy)-2-(phenylmethoxymethyl)oxan-3-ol (PubChem CID 153065809) has the molecular formula C59H66O11 and a molecular weight of 951.17 g/mol. Its IUPAC name is (3R,6R)-6-[(2R,5R)-5-(3-methylbut-2-enoxy)-3,4-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxy-4,5-bis(phenylmethoxy)-2-(phenylmethoxymethyl)oxan-3-ol.

Molecular Properties

• Compound Name: (3R,6R)-6-[(2R,5R)-5-(3-methylbut-2-enoxy)-3,4-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxy-4,5-bis(phenylmethoxy)-2-(phenylmethoxymethyl)oxan-3-ol
• PubChem CID: 153065809
• Molecular Formula: C59H66O11
• Molecular Weight: 951.17 g/mol
• Exact Mass: 950.46
• IUPAC Name: (3R,6R)-6-[(2R,5R)-5-(3-methylbut-2-enoxy)-3,4-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxy-4,5-bis(phenylmethoxy)-2-(phenylmethoxymethyl)oxan-3-ol
• SMILES: CC(C)=CCO[C@@H]1C(COCc2ccccc2)O[C@H](O[C@H]2OC(COCc3ccccc3)[C@@H](O)C(OCc3ccccc3)C2OCc2ccccc2)C(OCc2ccccc2)C1OCc1ccccc1
• InChI: InChI=1S/C59H66O11/c1-43(2)33-34-63-53-51(42-62-36-45-23-11-4-12-24-45)69-59(57(67-40-49-31-19-8-20-32-49)55(53)65-38-47-27-15-6-16-28-47)70-58-56(66-39-48-29-17-7-18-30-48)54(64-37-46-25-13-5-14-26-46)52(60)50(68-58)41-61-35-44-21-9-3-10-22-44/h3-33,50-60H,34-42H2,1-2H3/t50?,51?,52-,53-,54?,55?,56?,57?,58-,59-/m1/s1
• InChIKey: VKIXQEKSLJDCCY-BQIDLYDPSA-N
• XLogP: 9.94
• TPSA: 112.53 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 11
• Rotatable Bonds: 25
• Heavy Atoms: 70
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	951.17
LogP ≤ 5	9.94
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (3R,6R)-6-[(2R,5R)-5-(3-methylbut-2-enoxy)-3,4-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxy-4,5-bis(phenylmethoxy)-2-(phenylmethoxymethyl)oxan-3-ol?

The IUPAC name of (3R,6R)-6-[(2R,5R)-5-(3-methylbut-2-enoxy)-3,4-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxy-4,5-bis(phenylmethoxy)-2-(phenylmethoxymethyl)oxan-3-ol (CID 153065809) is (3R,6R)-6-[(2R,5R)-5-(3-methylbut-2-enoxy)-3,4-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxy-4,5-bis(phenylmethoxy)-2-(phenylmethoxymethyl)oxan-3-ol.

What is the SMILES notation for (3R,6R)-6-[(2R,5R)-5-(3-methylbut-2-enoxy)-3,4-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxy-4,5-bis(phenylmethoxy)-2-(phenylmethoxymethyl)oxan-3-ol?

The canonical SMILES for (3R,6R)-6-[(2R,5R)-5-(3-methylbut-2-enoxy)-3,4-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxy-4,5-bis(phenylmethoxy)-2-(phenylmethoxymethyl)oxan-3-ol is CC(C)=CCO[C@@H]1C(COCc2ccccc2)O[C@H](O[C@H]2OC(COCc3ccccc3)[C@@H](O)C(OCc3ccccc3)C2OCc2ccccc2)C(OCc2ccccc2)C1OCc1ccccc1.

What is the InChIKey of (3R,6R)-6-[(2R,5R)-5-(3-methylbut-2-enoxy)-3,4-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxy-4,5-bis(phenylmethoxy)-2-(phenylmethoxymethyl)oxan-3-ol?

The InChIKey is VKIXQEKSLJDCCY-BQIDLYDPSA-N. The full InChI is InChI=1S/C59H66O11/c1-43(2)33-34-63-53-51(42-62-36-45-23-11-4-12-24-45)69-59(57(67-40-49-31-19-8-20-32-49)55(53)65-38-47-27-15-6-16-28-47)70-58-56(66-39-48-29-17-7-18-30-48)54(64-37-46-25-13-5-14-26-46)52(60)50(68-58)41-61-35-44-21-9-3-10-22-44/h3-33,50-60H,34-42H2,1-2H3/t50?,51?,52-,53-,54?,55?,56?,57?,58-,59-/m1/s1.

What are the key properties of (3R,6R)-6-[(2R,5R)-5-(3-methylbut-2-enoxy)-3,4-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxy-4,5-bis(phenylmethoxy)-2-(phenylmethoxymethyl)oxan-3-ol?

(3R,6R)-6-[(2R,5R)-5-(3-methylbut-2-enoxy)-3,4-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxy-4,5-bis(phenylmethoxy)-2-(phenylmethoxymethyl)oxan-3-ol has a molecular weight of 951.17 g/mol, XLogP of 9.94, 25 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for (3R,6R)-6-[(2R,5R)-5-(3-methylbut-2-enoxy)-3,4-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxy-4,5-bis(phenylmethoxy)-2-(phenylmethoxymethyl)oxan-3-ol is sourced from PubChem (CID 153065809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).