(2R,4S,5R,6R)-4-phenylmethoxy-6-(phenylmethoxymethyl)-2-prop-2-enyl-5-[(2S,3R,4S,5S,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxyoxan-3-one

C57H60O10 — CID 10629578

About (2R,4S,5R,6R)-4-phenylmethoxy-6-(phenylmethoxymethyl)-2-prop-2-enyl-5-[(2S,3R,4S,5S,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxyoxan-3-one

(2R,4S,5R,6R)-4-phenylmethoxy-6-(phenylmethoxymethyl)-2-prop-2-enyl-5-[(2S,3R,4S,5S,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxyoxan-3-one (PubChem CID 10629578) has the molecular formula C57H60O10 and a molecular weight of 905.10 g/mol. Its IUPAC name is (2R,4S,5R,6R)-4-phenylmethoxy-6-(phenylmethoxymethyl)-2-prop-2-enyl-5-[(2S,3R,4S,5S,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxyoxan-3-one.

Molecular Properties

• Compound Name: (2R,4S,5R,6R)-4-phenylmethoxy-6-(phenylmethoxymethyl)-2-prop-2-enyl-5-[(2S,3R,4S,5S,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxyoxan-3-one
• PubChem CID: 10629578
• Molecular Formula: C57H60O10
• Molecular Weight: 905.10 g/mol
• Exact Mass: 904.42
• IUPAC Name: (2R,4S,5R,6R)-4-phenylmethoxy-6-(phenylmethoxymethyl)-2-prop-2-enyl-5-[(2S,3R,4S,5S,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxyoxan-3-one
• SMILES: C=CC[C@H]1O[C@H](COCc2ccccc2)[C@@H](O[C@@H]2O[C@H](COCc3ccccc3)[C@H](OCc3ccccc3)[C@H](OCc3ccccc3)[C@H]2OCc2ccccc2)[C@H](OCc2ccccc2)C1=O
• InChI: InChI=1S/C57H60O10/c1-2-21-48-51(58)54(62-37-45-28-15-6-16-29-45)53(50(65-48)41-60-35-43-24-11-4-12-25-43)67-57-56(64-39-47-32-19-8-20-33-47)55(63-38-46-30-17-7-18-31-46)52(61-36-44-26-13-5-14-27-44)49(66-57)40-59-34-42-22-9-3-10-23-42/h2-20,22-33,48-50,52-57H,1,21,34-41H2/t48-,49-,50-,52+,53-,54-,55+,56-,57+/m1/s1
• InChIKey: ALSABPHYKNAFKD-HXHPKGARSA-N
• XLogP: 9.78
• TPSA: 100.14 Ų
• H-Bond Acceptors: 10
• Rotatable Bonds: 24
• Heavy Atoms: 67
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	905.10
LogP ≤ 5	9.78
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (2R,4S,5R,6R)-4-phenylmethoxy-6-(phenylmethoxymethyl)-2-prop-2-enyl-5-[(2S,3R,4S,5S,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxyoxan-3-one?

The IUPAC name of (2R,4S,5R,6R)-4-phenylmethoxy-6-(phenylmethoxymethyl)-2-prop-2-enyl-5-[(2S,3R,4S,5S,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxyoxan-3-one (CID 10629578) is (2R,4S,5R,6R)-4-phenylmethoxy-6-(phenylmethoxymethyl)-2-prop-2-enyl-5-[(2S,3R,4S,5S,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxyoxan-3-one.

What is the SMILES notation for (2R,4S,5R,6R)-4-phenylmethoxy-6-(phenylmethoxymethyl)-2-prop-2-enyl-5-[(2S,3R,4S,5S,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxyoxan-3-one?

The canonical SMILES for (2R,4S,5R,6R)-4-phenylmethoxy-6-(phenylmethoxymethyl)-2-prop-2-enyl-5-[(2S,3R,4S,5S,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxyoxan-3-one is C=CC[C@H]1O[C@H](COCc2ccccc2)[C@@H](O[C@@H]2O[C@H](COCc3ccccc3)[C@H](OCc3ccccc3)[C@H](OCc3ccccc3)[C@H]2OCc2ccccc2)[C@H](OCc2ccccc2)C1=O.

What is the InChIKey of (2R,4S,5R,6R)-4-phenylmethoxy-6-(phenylmethoxymethyl)-2-prop-2-enyl-5-[(2S,3R,4S,5S,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxyoxan-3-one?

The InChIKey is ALSABPHYKNAFKD-HXHPKGARSA-N. The full InChI is InChI=1S/C57H60O10/c1-2-21-48-51(58)54(62-37-45-28-15-6-16-29-45)53(50(65-48)41-60-35-43-24-11-4-12-25-43)67-57-56(64-39-47-32-19-8-20-33-47)55(63-38-46-30-17-7-18-31-46)52(61-36-44-26-13-5-14-27-44)49(66-57)40-59-34-42-22-9-3-10-23-42/h2-20,22-33,48-50,52-57H,1,21,34-41H2/t48-,49-,50-,52+,53-,54-,55+,56-,57+/m1/s1.

What are the key properties of (2R,4S,5R,6R)-4-phenylmethoxy-6-(phenylmethoxymethyl)-2-prop-2-enyl-5-[(2S,3R,4S,5S,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxyoxan-3-one?

(2R,4S,5R,6R)-4-phenylmethoxy-6-(phenylmethoxymethyl)-2-prop-2-enyl-5-[(2S,3R,4S,5S,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxyoxan-3-one has a molecular weight of 905.10 g/mol, XLogP of 9.78, 24 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for (2R,4S,5R,6R)-4-phenylmethoxy-6-(phenylmethoxymethyl)-2-prop-2-enyl-5-[(2S,3R,4S,5S,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxyoxan-3-one is sourced from PubChem (CID 10629578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).