(2R,3S,4R,5R,6S)-2-[(E)-3-methoxyprop-2-enyl]-4,5-bis(phenylmethoxy)-6-[tri(propan-2-yl)silyloxymethyl]oxan-3-ol

C33H50O6Si — CID 101082677

About (2R,3S,4R,5R,6S)-2-[(E)-3-methoxyprop-2-enyl]-4,5-bis(phenylmethoxy)-6-[tri(propan-2-yl)silyloxymethyl]oxan-3-ol

(2R,3S,4R,5R,6S)-2-[(E)-3-methoxyprop-2-enyl]-4,5-bis(phenylmethoxy)-6-[tri(propan-2-yl)silyloxymethyl]oxan-3-ol (PubChem CID 101082677) has the molecular formula C33H50O6Si and a molecular weight of 570.84 g/mol. Its IUPAC name is (2R,3S,4R,5R,6S)-2-[(E)-3-methoxyprop-2-enyl]-4,5-bis(phenylmethoxy)-6-[tri(propan-2-yl)silyloxymethyl]oxan-3-ol.

Molecular Properties

• Compound Name: (2R,3S,4R,5R,6S)-2-[(E)-3-methoxyprop-2-enyl]-4,5-bis(phenylmethoxy)-6-[tri(propan-2-yl)silyloxymethyl]oxan-3-ol
• PubChem CID: 101082677
• Molecular Formula: C33H50O6Si
• Molecular Weight: 570.84 g/mol
• Exact Mass: 570.34
• IUPAC Name: (2R,3S,4R,5R,6S)-2-[(E)-3-methoxyprop-2-enyl]-4,5-bis(phenylmethoxy)-6-[tri(propan-2-yl)silyloxymethyl]oxan-3-ol
• SMILES: CO/C=C/C[C@H]1O[C@@H](CO[Si](C(C)C)(C(C)C)C(C)C)[C@@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@H]1O
• InChI: InChI=1S/C33H50O6Si/c1-24(2)40(25(3)4,26(5)6)38-23-30-32(36-21-27-15-10-8-11-16-27)33(37-22-28-17-12-9-13-18-28)31(34)29(39-30)19-14-20-35-7/h8-18,20,24-26,29-34H,19,21-23H2,1-7H3/b20-14+/t29-,30+,31+,32-,33-/m1/s1
• InChIKey: URFXAPCAGZCKAV-ZRFLXYTKSA-N
• XLogP: 7.03
• TPSA: 66.38 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 15
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	570.84
LogP ≤ 5	7.03
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (2R,3S,4R,5R,6S)-2-[(E)-3-methoxyprop-2-enyl]-4,5-bis(phenylmethoxy)-6-[tri(propan-2-yl)silyloxymethyl]oxan-3-ol?

The IUPAC name of (2R,3S,4R,5R,6S)-2-[(E)-3-methoxyprop-2-enyl]-4,5-bis(phenylmethoxy)-6-[tri(propan-2-yl)silyloxymethyl]oxan-3-ol (CID 101082677) is (2R,3S,4R,5R,6S)-2-[(E)-3-methoxyprop-2-enyl]-4,5-bis(phenylmethoxy)-6-[tri(propan-2-yl)silyloxymethyl]oxan-3-ol.

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

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

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

The InChIKey is URFXAPCAGZCKAV-ZRFLXYTKSA-N. The full InChI is InChI=1S/C33H50O6Si/c1-24(2)40(25(3)4,26(5)6)38-23-30-32(36-21-27-15-10-8-11-16-27)33(37-22-28-17-12-9-13-18-28)31(34)29(39-30)19-14-20-35-7/h8-18,20,24-26,29-34H,19,21-23H2,1-7H3/b20-14+/t29-,30+,31+,32-,33-/m1/s1.

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

(2R,3S,4R,5R,6S)-2-[(E)-3-methoxyprop-2-enyl]-4,5-bis(phenylmethoxy)-6-[tri(propan-2-yl)silyloxymethyl]oxan-3-ol has a molecular weight of 570.84 g/mol, XLogP of 7.03, 15 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (2R,3S,4R,5R,6S)-2-[(E)-3-methoxyprop-2-enyl]-4,5-bis(phenylmethoxy)-6-[tri(propan-2-yl)silyloxymethyl]oxan-3-ol is sourced from PubChem (CID 101082677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).