(2R,3R,4R,6E)-6-hydroxyimino-3,4-bis(phenylmethoxy)-1-[(2S,3R,4S,5S,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxyhexan-2-ol

C54H59NO10 — CID 11411919

About (2R,3R,4R,6E)-6-hydroxyimino-3,4-bis(phenylmethoxy)-1-[(2S,3R,4S,5S,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxyhexan-2-ol

(2R,3R,4R,6E)-6-hydroxyimino-3,4-bis(phenylmethoxy)-1-[(2S,3R,4S,5S,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxyhexan-2-ol (PubChem CID 11411919) has the molecular formula C54H59NO10 and a molecular weight of 882.06 g/mol. Its IUPAC name is (2R,3R,4R,6E)-6-hydroxyimino-3,4-bis(phenylmethoxy)-1-[(2S,3R,4S,5S,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxyhexan-2-ol.

Molecular Properties

• Compound Name: (2R,3R,4R,6E)-6-hydroxyimino-3,4-bis(phenylmethoxy)-1-[(2S,3R,4S,5S,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxyhexan-2-ol
• PubChem CID: 11411919
• Molecular Formula: C54H59NO10
• Molecular Weight: 882.06 g/mol
• Exact Mass: 881.41
• IUPAC Name: (2R,3R,4R,6E)-6-hydroxyimino-3,4-bis(phenylmethoxy)-1-[(2S,3R,4S,5S,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxyhexan-2-ol
• SMILES: O/N=C/C[C@@H](OCc1ccccc1)[C@H](OCc1ccccc1)[C@H](O)CO[C@H]1O[C@H](COCc2ccccc2)[C@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@H]1OCc1ccccc1
• InChI: InChI=1S/C54H59NO10/c56-47(50(60-35-43-23-11-3-12-24-43)48(31-32-55-57)59-34-42-21-9-2-10-22-42)39-64-54-53(63-38-46-29-17-6-18-30-46)52(62-37-45-27-15-5-16-28-45)51(61-36-44-25-13-4-14-26-44)49(65-54)40-58-33-41-19-7-1-8-20-41/h1-30,32,47-54,56-57H,31,33-40H2/b55-32+/t47-,48-,49-,50-,51+,52+,53-,54+/m1/s1
• InChIKey: CLIWAOJAJVKHBC-BYORBUAHSA-N
• XLogP: 9.08
• TPSA: 126.66 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 11
• Rotatable Bonds: 26
• Heavy Atoms: 65
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	882.06
LogP ≤ 5	9.08
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (2R,3R,4R,6E)-6-hydroxyimino-3,4-bis(phenylmethoxy)-1-[(2S,3R,4S,5S,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxyhexan-2-ol?

The IUPAC name of (2R,3R,4R,6E)-6-hydroxyimino-3,4-bis(phenylmethoxy)-1-[(2S,3R,4S,5S,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxyhexan-2-ol (CID 11411919) is (2R,3R,4R,6E)-6-hydroxyimino-3,4-bis(phenylmethoxy)-1-[(2S,3R,4S,5S,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxyhexan-2-ol.

What is the SMILES notation for (2R,3R,4R,6E)-6-hydroxyimino-3,4-bis(phenylmethoxy)-1-[(2S,3R,4S,5S,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxyhexan-2-ol?

The canonical SMILES for (2R,3R,4R,6E)-6-hydroxyimino-3,4-bis(phenylmethoxy)-1-[(2S,3R,4S,5S,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxyhexan-2-ol is O/N=C/C[C@@H](OCc1ccccc1)[C@H](OCc1ccccc1)[C@H](O)CO[C@H]1O[C@H](COCc2ccccc2)[C@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@H]1OCc1ccccc1.

What is the InChIKey of (2R,3R,4R,6E)-6-hydroxyimino-3,4-bis(phenylmethoxy)-1-[(2S,3R,4S,5S,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxyhexan-2-ol?

The InChIKey is CLIWAOJAJVKHBC-BYORBUAHSA-N. The full InChI is InChI=1S/C54H59NO10/c56-47(50(60-35-43-23-11-3-12-24-43)48(31-32-55-57)59-34-42-21-9-2-10-22-42)39-64-54-53(63-38-46-29-17-6-18-30-46)52(62-37-45-27-15-5-16-28-45)51(61-36-44-25-13-4-14-26-44)49(65-54)40-58-33-41-19-7-1-8-20-41/h1-30,32,47-54,56-57H,31,33-40H2/b55-32+/t47-,48-,49-,50-,51+,52+,53-,54+/m1/s1.

What are the key properties of (2R,3R,4R,6E)-6-hydroxyimino-3,4-bis(phenylmethoxy)-1-[(2S,3R,4S,5S,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxyhexan-2-ol?

(2R,3R,4R,6E)-6-hydroxyimino-3,4-bis(phenylmethoxy)-1-[(2S,3R,4S,5S,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxyhexan-2-ol has a molecular weight of 882.06 g/mol, XLogP of 9.08, 26 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for (2R,3R,4R,6E)-6-hydroxyimino-3,4-bis(phenylmethoxy)-1-[(2S,3R,4S,5S,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxyhexan-2-ol is sourced from PubChem (CID 11411919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).