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

C46H48O8P2 — CID 59488835

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

(3R,4S,5R,6R)-2-[1,5-bis(phosphanyloxymethyl)naphthalen-2-yl]-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-ol (PubChem CID 59488835) has the molecular formula C46H48O8P2 and a molecular weight of 790.83 g/mol. Its IUPAC name is (3R,4S,5R,6R)-2-[1,5-bis(phosphanyloxymethyl)naphthalen-2-yl]-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-ol.

Molecular Properties

• Compound Name: (3R,4S,5R,6R)-2-[1,5-bis(phosphanyloxymethyl)naphthalen-2-yl]-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-ol
• PubChem CID: 59488835
• Molecular Formula: C46H48O8P2
• Molecular Weight: 790.83 g/mol
• Exact Mass: 790.28
• IUPAC Name: (3R,4S,5R,6R)-2-[1,5-bis(phosphanyloxymethyl)naphthalen-2-yl]-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-ol
• SMILES: OC1(c2ccc3c(COP)cccc3c2COP)O[C@H](COCc2ccccc2)[C@@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@H]1OCc1ccccc1
• InChI: InChI=1S/C46H48O8P2/c47-46(41-25-24-38-37(30-52-55)22-13-23-39(38)40(41)31-53-56)45(51-29-36-20-11-4-12-21-36)44(50-28-35-18-9-3-10-19-35)43(49-27-34-16-7-2-8-17-34)42(54-46)32-48-26-33-14-5-1-6-15-33/h1-25,42-45,47H,26-32,55-56H2/t42-,43-,44+,45-,46?/m1/s1
• InChIKey: NYLVQZQQLQGVCB-FNGPDGFESA-N
• XLogP: 8.97
• TPSA: 84.84 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 18
• Heavy Atoms: 56
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	790.83
LogP ≤ 5	8.97
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

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

The IUPAC name of (3R,4S,5R,6R)-2-[1,5-bis(phosphanyloxymethyl)naphthalen-2-yl]-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-ol (CID 59488835) is (3R,4S,5R,6R)-2-[1,5-bis(phosphanyloxymethyl)naphthalen-2-yl]-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-ol.

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

The canonical SMILES for (3R,4S,5R,6R)-2-[1,5-bis(phosphanyloxymethyl)naphthalen-2-yl]-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-ol is OC1(c2ccc3c(COP)cccc3c2COP)O[C@H](COCc2ccccc2)[C@@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@H]1OCc1ccccc1.

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

The InChIKey is NYLVQZQQLQGVCB-FNGPDGFESA-N. The full InChI is InChI=1S/C46H48O8P2/c47-46(41-25-24-38-37(30-52-55)22-13-23-39(38)40(41)31-53-56)45(51-29-36-20-11-4-12-21-36)44(50-28-35-18-9-3-10-19-35)43(49-27-34-16-7-2-8-17-34)42(54-46)32-48-26-33-14-5-1-6-15-33/h1-25,42-45,47H,26-32,55-56H2/t42-,43-,44+,45-,46?/m1/s1.

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

(3R,4S,5R,6R)-2-[1,5-bis(phosphanyloxymethyl)naphthalen-2-yl]-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-ol has a molecular weight of 790.83 g/mol, XLogP of 8.97, 18 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for (3R,4S,5R,6R)-2-[1,5-bis(phosphanyloxymethyl)naphthalen-2-yl]-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-ol is sourced from PubChem (CID 59488835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).