[(3R,4S,5R,6R)-4-benzoyloxy-3,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl] 9H-fluoren-9-ylmethyl phosphate;triethylazanium

C54H60NO10P — CID 10677228

About [(3R,4S,5R,6R)-4-benzoyloxy-3,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl] 9H-fluoren-9-ylmethyl phosphate;triethylazanium

[(3R,4S,5R,6R)-4-benzoyloxy-3,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl] 9H-fluoren-9-ylmethyl phosphate;triethylazanium (PubChem CID 10677228) has the molecular formula C54H60NO10P and a molecular weight of 914.05 g/mol. Its IUPAC name is [(3R,4S,5R,6R)-4-benzoyloxy-3,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl] 9H-fluoren-9-ylmethyl phosphate;triethylazanium.

Molecular Properties

• Compound Name: [(3R,4S,5R,6R)-4-benzoyloxy-3,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl] 9H-fluoren-9-ylmethyl phosphate;triethylazanium
• PubChem CID: 10677228
• Molecular Formula: C54H60NO10P
• Molecular Weight: 914.05 g/mol
• Exact Mass: 913.40
• IUPAC Name: [(3R,4S,5R,6R)-4-benzoyloxy-3,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl] 9H-fluoren-9-ylmethyl phosphate;triethylazanium
• SMILES: CC[NH+](CC)CC.O=C(O[C@H]1[C@H](OCc2ccccc2)[C@@H](COCc2ccccc2)OC(OP(=O)([O-])OCC2c3ccccc3-c3ccccc32)[C@@H]1OCc1ccccc1)c1ccccc1
• InChI: InChI=1S/C48H45O10P.C6H15N/c49-47(37-23-11-4-12-24-37)57-45-44(53-30-35-19-7-2-8-20-35)43(33-52-29-34-17-5-1-6-18-34)56-48(46(45)54-31-36-21-9-3-10-22-36)58-59(50,51)55-32-42-40-27-15-13-25-38(40)39-26-14-16-28-41(39)42;1-4-7(5-2)6-3/h1-28,42-46,48H,29-33H2,(H,50,51);4-6H2,1-3H3/t43-,44-,45+,46-,48?;/m1./s1
• InChIKey: DCRHSHTYCCQQDA-PSNGVTJUSA-N
• XLogP: 8.57
• TPSA: 126.25 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 10
• Rotatable Bonds: 20
• Heavy Atoms: 66
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	914.05
LogP ≤ 5	8.57
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [(3R,4S,5R,6R)-4-benzoyloxy-3,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl] 9H-fluoren-9-ylmethyl phosphate;triethylazanium?

The IUPAC name of [(3R,4S,5R,6R)-4-benzoyloxy-3,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl] 9H-fluoren-9-ylmethyl phosphate;triethylazanium (CID 10677228) is [(3R,4S,5R,6R)-4-benzoyloxy-3,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl] 9H-fluoren-9-ylmethyl phosphate;triethylazanium.

What is the SMILES notation for [(3R,4S,5R,6R)-4-benzoyloxy-3,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl] 9H-fluoren-9-ylmethyl phosphate;triethylazanium?

The canonical SMILES for [(3R,4S,5R,6R)-4-benzoyloxy-3,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl] 9H-fluoren-9-ylmethyl phosphate;triethylazanium is CC[NH+](CC)CC.O=C(O[C@H]1[C@H](OCc2ccccc2)[C@@H](COCc2ccccc2)OC(OP(=O)([O-])OCC2c3ccccc3-c3ccccc32)[C@@H]1OCc1ccccc1)c1ccccc1.

What is the InChIKey of [(3R,4S,5R,6R)-4-benzoyloxy-3,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl] 9H-fluoren-9-ylmethyl phosphate;triethylazanium?

The InChIKey is DCRHSHTYCCQQDA-PSNGVTJUSA-N. The full InChI is InChI=1S/C48H45O10P.C6H15N/c49-47(37-23-11-4-12-24-37)57-45-44(53-30-35-19-7-2-8-20-35)43(33-52-29-34-17-5-1-6-18-34)56-48(46(45)54-31-36-21-9-3-10-22-36)58-59(50,51)55-32-42-40-27-15-13-25-38(40)39-26-14-16-28-41(39)42;1-4-7(5-2)6-3/h1-28,42-46,48H,29-33H2,(H,50,51);4-6H2,1-3H3/t43-,44-,45+,46-,48?;/m1./s1.

What are the key properties of [(3R,4S,5R,6R)-4-benzoyloxy-3,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl] 9H-fluoren-9-ylmethyl phosphate;triethylazanium?

[(3R,4S,5R,6R)-4-benzoyloxy-3,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl] 9H-fluoren-9-ylmethyl phosphate;triethylazanium has a molecular weight of 914.05 g/mol, XLogP of 8.57, 20 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for [(3R,4S,5R,6R)-4-benzoyloxy-3,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl] 9H-fluoren-9-ylmethyl phosphate;triethylazanium is sourced from PubChem (CID 10677228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).