(2R,3R,4R,5R,6R)-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)-2-[(E)-2-[tri(propan-2-yl)silyloxymethyl]pent-2-enoxy]oxan-3-ol

C42H60O7Si — CID 10930539

About (2R,3R,4R,5R,6R)-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)-2-[(E)-2-[tri(propan-2-yl)silyloxymethyl]pent-2-enoxy]oxan-3-ol

(2R,3R,4R,5R,6R)-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)-2-[(E)-2-[tri(propan-2-yl)silyloxymethyl]pent-2-enoxy]oxan-3-ol (PubChem CID 10930539) has the molecular formula C42H60O7Si and a molecular weight of 705.02 g/mol. Its IUPAC name is (2R,3R,4R,5R,6R)-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)-2-[(E)-2-[tri(propan-2-yl)silyloxymethyl]pent-2-enoxy]oxan-3-ol.

Molecular Properties

• Compound Name: (2R,3R,4R,5R,6R)-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)-2-[(E)-2-[tri(propan-2-yl)silyloxymethyl]pent-2-enoxy]oxan-3-ol
• PubChem CID: 10930539
• Molecular Formula: C42H60O7Si
• Molecular Weight: 705.02 g/mol
• Exact Mass: 704.41
• IUPAC Name: (2R,3R,4R,5R,6R)-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)-2-[(E)-2-[tri(propan-2-yl)silyloxymethyl]pent-2-enoxy]oxan-3-ol
• SMILES: CC/C=C(\CO[C@@H]1O[C@H](COCc2ccccc2)[C@@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@H]1O)CO[Si](C(C)C)(C(C)C)C(C)C
• InChI: InChI=1S/C42H60O7Si/c1-8-18-37(29-48-50(31(2)3,32(4)5)33(6)7)28-47-42-39(43)41(46-27-36-23-16-11-17-24-36)40(45-26-35-21-14-10-15-22-35)38(49-42)30-44-25-34-19-12-9-13-20-34/h9-24,31-33,38-43H,8,25-30H2,1-7H3/b37-18+/t38-,39-,40-,41-,42-/m1/s1
• InChIKey: UUPJIAMWPDHRSF-RKZOKWQZSA-N
• XLogP: 9.00
• TPSA: 75.61 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 20
• Heavy Atoms: 50
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	705.02
LogP ≤ 5	9.00
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

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 (2R,3R,4R,5R,6R)-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)-2-[(E)-2-[tri(propan-2-yl)silyloxymethyl]pent-2-enoxy]oxan-3-ol?

The IUPAC name of (2R,3R,4R,5R,6R)-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)-2-[(E)-2-[tri(propan-2-yl)silyloxymethyl]pent-2-enoxy]oxan-3-ol (CID 10930539) is (2R,3R,4R,5R,6R)-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)-2-[(E)-2-[tri(propan-2-yl)silyloxymethyl]pent-2-enoxy]oxan-3-ol.

What is the SMILES notation for (2R,3R,4R,5R,6R)-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)-2-[(E)-2-[tri(propan-2-yl)silyloxymethyl]pent-2-enoxy]oxan-3-ol?

The canonical SMILES for (2R,3R,4R,5R,6R)-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)-2-[(E)-2-[tri(propan-2-yl)silyloxymethyl]pent-2-enoxy]oxan-3-ol is CC/C=C(\CO[C@@H]1O[C@H](COCc2ccccc2)[C@@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@H]1O)CO[Si](C(C)C)(C(C)C)C(C)C.

What is the InChIKey of (2R,3R,4R,5R,6R)-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)-2-[(E)-2-[tri(propan-2-yl)silyloxymethyl]pent-2-enoxy]oxan-3-ol?

The InChIKey is UUPJIAMWPDHRSF-RKZOKWQZSA-N. The full InChI is InChI=1S/C42H60O7Si/c1-8-18-37(29-48-50(31(2)3,32(4)5)33(6)7)28-47-42-39(43)41(46-27-36-23-16-11-17-24-36)40(45-26-35-21-14-10-15-22-35)38(49-42)30-44-25-34-19-12-9-13-20-34/h9-24,31-33,38-43H,8,25-30H2,1-7H3/b37-18+/t38-,39-,40-,41-,42-/m1/s1.

What are the key properties of (2R,3R,4R,5R,6R)-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)-2-[(E)-2-[tri(propan-2-yl)silyloxymethyl]pent-2-enoxy]oxan-3-ol?

(2R,3R,4R,5R,6R)-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)-2-[(E)-2-[tri(propan-2-yl)silyloxymethyl]pent-2-enoxy]oxan-3-ol has a molecular weight of 705.02 g/mol, XLogP of 9.00, 20 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for (2R,3R,4R,5R,6R)-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)-2-[(E)-2-[tri(propan-2-yl)silyloxymethyl]pent-2-enoxy]oxan-3-ol is sourced from PubChem (CID 10930539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).