[4-hydroxy-5-(hydroxymethyl)-2-[5-(naphthalen-2-ylmethoxy)-2,3,4-tris(phenylmethoxy)pentoxy]oxolan-3-yl] N,N-dimethylcarbamate

C45H51NO10 — CID 134222070

About [4-hydroxy-5-(hydroxymethyl)-2-[5-(naphthalen-2-ylmethoxy)-2,3,4-tris(phenylmethoxy)pentoxy]oxolan-3-yl] N,N-dimethylcarbamate

[4-hydroxy-5-(hydroxymethyl)-2-[5-(naphthalen-2-ylmethoxy)-2,3,4-tris(phenylmethoxy)pentoxy]oxolan-3-yl] N,N-dimethylcarbamate (PubChem CID 134222070) has the molecular formula C45H51NO10 and a molecular weight of 765.90 g/mol. Its IUPAC name is [4-hydroxy-5-(hydroxymethyl)-2-[5-(naphthalen-2-ylmethoxy)-2,3,4-tris(phenylmethoxy)pentoxy]oxolan-3-yl] N,N-dimethylcarbamate.

Molecular Properties

• Compound Name: [4-hydroxy-5-(hydroxymethyl)-2-[5-(naphthalen-2-ylmethoxy)-2,3,4-tris(phenylmethoxy)pentoxy]oxolan-3-yl] N,N-dimethylcarbamate
• PubChem CID: 134222070
• Molecular Formula: C45H51NO10
• Molecular Weight: 765.90 g/mol
• Exact Mass: 765.35
• IUPAC Name: [4-hydroxy-5-(hydroxymethyl)-2-[5-(naphthalen-2-ylmethoxy)-2,3,4-tris(phenylmethoxy)pentoxy]oxolan-3-yl] N,N-dimethylcarbamate
• SMILES: CN(C)C(=O)OC1C(OCC(OCc2ccccc2)C(OCc2ccccc2)C(COCc2ccc3ccccc3c2)OCc2ccccc2)OC(CO)C1O
• InChI: InChI=1S/C45H51NO10/c1-46(2)45(49)56-43-41(48)38(25-47)55-44(43)54-31-40(52-28-33-16-8-4-9-17-33)42(53-29-34-18-10-5-11-19-34)39(51-27-32-14-6-3-7-15-32)30-50-26-35-22-23-36-20-12-13-21-37(36)24-35/h3-24,38-44,47-48H,25-31H2,1-2H3
• InChIKey: BCRVJLYIXQQUNA-UHFFFAOYSA-N
• XLogP: 6.27
• TPSA: 125.38 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 20
• Heavy Atoms: 56
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	765.90
LogP ≤ 5	6.27
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of [4-hydroxy-5-(hydroxymethyl)-2-[5-(naphthalen-2-ylmethoxy)-2,3,4-tris(phenylmethoxy)pentoxy]oxolan-3-yl] N,N-dimethylcarbamate?

The IUPAC name of [4-hydroxy-5-(hydroxymethyl)-2-[5-(naphthalen-2-ylmethoxy)-2,3,4-tris(phenylmethoxy)pentoxy]oxolan-3-yl] N,N-dimethylcarbamate (CID 134222070) is [4-hydroxy-5-(hydroxymethyl)-2-[5-(naphthalen-2-ylmethoxy)-2,3,4-tris(phenylmethoxy)pentoxy]oxolan-3-yl] N,N-dimethylcarbamate.

What is the SMILES notation for [4-hydroxy-5-(hydroxymethyl)-2-[5-(naphthalen-2-ylmethoxy)-2,3,4-tris(phenylmethoxy)pentoxy]oxolan-3-yl] N,N-dimethylcarbamate?

The canonical SMILES for [4-hydroxy-5-(hydroxymethyl)-2-[5-(naphthalen-2-ylmethoxy)-2,3,4-tris(phenylmethoxy)pentoxy]oxolan-3-yl] N,N-dimethylcarbamate is CN(C)C(=O)OC1C(OCC(OCc2ccccc2)C(OCc2ccccc2)C(COCc2ccc3ccccc3c2)OCc2ccccc2)OC(CO)C1O.

What is the InChIKey of [4-hydroxy-5-(hydroxymethyl)-2-[5-(naphthalen-2-ylmethoxy)-2,3,4-tris(phenylmethoxy)pentoxy]oxolan-3-yl] N,N-dimethylcarbamate?

The InChIKey is BCRVJLYIXQQUNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H51NO10/c1-46(2)45(49)56-43-41(48)38(25-47)55-44(43)54-31-40(52-28-33-16-8-4-9-17-33)42(53-29-34-18-10-5-11-19-34)39(51-27-32-14-6-3-7-15-32)30-50-26-35-22-23-36-20-12-13-21-37(36)24-35/h3-24,38-44,47-48H,25-31H2,1-2H3.

What are the key properties of [4-hydroxy-5-(hydroxymethyl)-2-[5-(naphthalen-2-ylmethoxy)-2,3,4-tris(phenylmethoxy)pentoxy]oxolan-3-yl] N,N-dimethylcarbamate?

[4-hydroxy-5-(hydroxymethyl)-2-[5-(naphthalen-2-ylmethoxy)-2,3,4-tris(phenylmethoxy)pentoxy]oxolan-3-yl] N,N-dimethylcarbamate has a molecular weight of 765.90 g/mol, XLogP of 6.27, 20 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for [4-hydroxy-5-(hydroxymethyl)-2-[5-(naphthalen-2-ylmethoxy)-2,3,4-tris(phenylmethoxy)pentoxy]oxolan-3-yl] N,N-dimethylcarbamate is sourced from PubChem (CID 134222070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).