[(2R,3R,4S,5S,6R)-4,5-bis(phenylmethoxy)-2-(phenylmethoxymethyl)-6-[[(2R,3S,4S,5R,6R)-3,4,5-tribenzoyloxy-6-methoxyoxan-2-yl]methoxy]oxan-3-yl] 4-methoxybenzoate

C63H60O16 — CID 11446091

About [(2R,3R,4S,5S,6R)-4,5-bis(phenylmethoxy)-2-(phenylmethoxymethyl)-6-[[(2R,3S,4S,5R,6R)-3,4,5-tribenzoyloxy-6-methoxyoxan-2-yl]methoxy]oxan-3-yl] 4-methoxybenzoate

[(2R,3R,4S,5S,6R)-4,5-bis(phenylmethoxy)-2-(phenylmethoxymethyl)-6-[[(2R,3S,4S,5R,6R)-3,4,5-tribenzoyloxy-6-methoxyoxan-2-yl]methoxy]oxan-3-yl] 4-methoxybenzoate (PubChem CID 11446091) has the molecular formula C63H60O16 and a molecular weight of 1073.16 g/mol. Its IUPAC name is [(2R,3R,4S,5S,6R)-4,5-bis(phenylmethoxy)-2-(phenylmethoxymethyl)-6-[[(2R,3S,4S,5R,6R)-3,4,5-tribenzoyloxy-6-methoxyoxan-2-yl]methoxy]oxan-3-yl] 4-methoxybenzoate.

Molecular Properties

• Compound Name: [(2R,3R,4S,5S,6R)-4,5-bis(phenylmethoxy)-2-(phenylmethoxymethyl)-6-[[(2R,3S,4S,5R,6R)-3,4,5-tribenzoyloxy-6-methoxyoxan-2-yl]methoxy]oxan-3-yl] 4-methoxybenzoate
• PubChem CID: 11446091
• Molecular Formula: C63H60O16
• Molecular Weight: 1073.16 g/mol
• Exact Mass: 1072.39
• IUPAC Name: [(2R,3R,4S,5S,6R)-4,5-bis(phenylmethoxy)-2-(phenylmethoxymethyl)-6-[[(2R,3S,4S,5R,6R)-3,4,5-tribenzoyloxy-6-methoxyoxan-2-yl]methoxy]oxan-3-yl] 4-methoxybenzoate
• SMILES: COc1ccc(C(=O)O[C@H]2[C@H](OCc3ccccc3)[C@H](OCc3ccccc3)[C@H](OC[C@H]3O[C@@H](OC)[C@H](OC(=O)c4ccccc4)[C@@H](OC(=O)c4ccccc4)[C@H]3OC(=O)c3ccccc3)O[C@@H]2COCc2ccccc2)cc1
• InChI: InChI=1S/C63H60O16/c1-68-49-35-33-48(34-36-49)61(67)76-52-50(40-70-37-42-21-9-3-10-22-42)75-63(56(72-39-44-25-13-5-14-26-44)54(52)71-38-43-23-11-4-12-24-43)73-41-51-53(77-58(64)45-27-15-6-16-28-45)55(78-59(65)46-29-17-7-18-30-46)57(62(69-2)74-51)79-60(66)47-31-19-8-20-32-47/h3-36,50-57,62-63H,37-41H2,1-2H3/t50-,51-,52-,53+,54+,55+,56+,57-,62-,63-/m1/s1
• InChIKey: ZVRWGTUEFUZCSS-RPKZUGCVSA-N
• XLogP: 9.40
• TPSA: 179.04 Ų
• H-Bond Acceptors: 16
• Rotatable Bonds: 23
• Heavy Atoms: 79
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1073.16
LogP ≤ 5	9.40
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	16

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [(2R,3R,4S,5S,6R)-4,5-bis(phenylmethoxy)-2-(phenylmethoxymethyl)-6-[[(2R,3S,4S,5R,6R)-3,4,5-tribenzoyloxy-6-methoxyoxan-2-yl]methoxy]oxan-3-yl] 4-methoxybenzoate?

The IUPAC name of [(2R,3R,4S,5S,6R)-4,5-bis(phenylmethoxy)-2-(phenylmethoxymethyl)-6-[[(2R,3S,4S,5R,6R)-3,4,5-tribenzoyloxy-6-methoxyoxan-2-yl]methoxy]oxan-3-yl] 4-methoxybenzoate (CID 11446091) is [(2R,3R,4S,5S,6R)-4,5-bis(phenylmethoxy)-2-(phenylmethoxymethyl)-6-[[(2R,3S,4S,5R,6R)-3,4,5-tribenzoyloxy-6-methoxyoxan-2-yl]methoxy]oxan-3-yl] 4-methoxybenzoate.

What is the SMILES notation for [(2R,3R,4S,5S,6R)-4,5-bis(phenylmethoxy)-2-(phenylmethoxymethyl)-6-[[(2R,3S,4S,5R,6R)-3,4,5-tribenzoyloxy-6-methoxyoxan-2-yl]methoxy]oxan-3-yl] 4-methoxybenzoate?

The canonical SMILES for [(2R,3R,4S,5S,6R)-4,5-bis(phenylmethoxy)-2-(phenylmethoxymethyl)-6-[[(2R,3S,4S,5R,6R)-3,4,5-tribenzoyloxy-6-methoxyoxan-2-yl]methoxy]oxan-3-yl] 4-methoxybenzoate is COc1ccc(C(=O)O[C@H]2[C@H](OCc3ccccc3)[C@H](OCc3ccccc3)[C@H](OC[C@H]3O[C@@H](OC)[C@H](OC(=O)c4ccccc4)[C@@H](OC(=O)c4ccccc4)[C@H]3OC(=O)c3ccccc3)O[C@@H]2COCc2ccccc2)cc1.

What is the InChIKey of [(2R,3R,4S,5S,6R)-4,5-bis(phenylmethoxy)-2-(phenylmethoxymethyl)-6-[[(2R,3S,4S,5R,6R)-3,4,5-tribenzoyloxy-6-methoxyoxan-2-yl]methoxy]oxan-3-yl] 4-methoxybenzoate?

The InChIKey is ZVRWGTUEFUZCSS-RPKZUGCVSA-N. The full InChI is InChI=1S/C63H60O16/c1-68-49-35-33-48(34-36-49)61(67)76-52-50(40-70-37-42-21-9-3-10-22-42)75-63(56(72-39-44-25-13-5-14-26-44)54(52)71-38-43-23-11-4-12-24-43)73-41-51-53(77-58(64)45-27-15-6-16-28-45)55(78-59(65)46-29-17-7-18-30-46)57(62(69-2)74-51)79-60(66)47-31-19-8-20-32-47/h3-36,50-57,62-63H,37-41H2,1-2H3/t50-,51-,52-,53+,54+,55+,56+,57-,62-,63-/m1/s1.

What are the key properties of [(2R,3R,4S,5S,6R)-4,5-bis(phenylmethoxy)-2-(phenylmethoxymethyl)-6-[[(2R,3S,4S,5R,6R)-3,4,5-tribenzoyloxy-6-methoxyoxan-2-yl]methoxy]oxan-3-yl] 4-methoxybenzoate?

[(2R,3R,4S,5S,6R)-4,5-bis(phenylmethoxy)-2-(phenylmethoxymethyl)-6-[[(2R,3S,4S,5R,6R)-3,4,5-tribenzoyloxy-6-methoxyoxan-2-yl]methoxy]oxan-3-yl] 4-methoxybenzoate has a molecular weight of 1073.16 g/mol, XLogP of 9.40, 23 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for [(2R,3R,4S,5S,6R)-4,5-bis(phenylmethoxy)-2-(phenylmethoxymethyl)-6-[[(2R,3S,4S,5R,6R)-3,4,5-tribenzoyloxy-6-methoxyoxan-2-yl]methoxy]oxan-3-yl] 4-methoxybenzoate is sourced from PubChem (CID 11446091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).