9H-fluoren-9-ylmethyl N-[(2S,3S,4R,5S)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-[2-cyanoethoxy(2,4-dimethylpentan-3-yl)phosphanyl]oxy-2-(2,4-dioxopyrimidin-1-yl)oxolan-3-yl]carbamate

C55H59N4O10P — CID 124922896

About 9H-fluoren-9-ylmethyl N-[(2S,3S,4R,5S)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-[2-cyanoethoxy(2,4-dimethylpentan-3-yl)phosphanyl]oxy-2-(2,4-dioxopyrimidin-1-yl)oxolan-3-yl]carbamate

9H-fluoren-9-ylmethyl N-[(2S,3S,4R,5S)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-[2-cyanoethoxy(2,4-dimethylpentan-3-yl)phosphanyl]oxy-2-(2,4-dioxopyrimidin-1-yl)oxolan-3-yl]carbamate (PubChem CID 124922896) has the molecular formula C55H59N4O10P and a molecular weight of 967.07 g/mol. Its IUPAC name is 9H-fluoren-9-ylmethyl N-[(2S,3S,4R,5S)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-[2-cyanoethoxy(2,4-dimethylpentan-3-yl)phosphanyl]oxy-2-(2,4-dioxopyrimidin-1-yl)oxolan-3-yl]carbamate.

Molecular Properties

• Compound Name: 9H-fluoren-9-ylmethyl N-[(2S,3S,4R,5S)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-[2-cyanoethoxy(2,4-dimethylpentan-3-yl)phosphanyl]oxy-2-(2,4-dioxopyrimidin-1-yl)oxolan-3-yl]carbamate
• PubChem CID: 124922896
• Molecular Formula: C55H59N4O10P
• Molecular Weight: 967.07 g/mol
• Exact Mass: 966.40
• IUPAC Name: 9H-fluoren-9-ylmethyl N-[(2S,3S,4R,5S)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-[2-cyanoethoxy(2,4-dimethylpentan-3-yl)phosphanyl]oxy-2-(2,4-dioxopyrimidin-1-yl)oxolan-3-yl]carbamate
• SMILES: COc1ccc(C(OC[C@@H]2O[C@H](n3ccc(=O)[nH]c3=O)[C@@H](NC(=O)OCC3c4ccccc4-c4ccccc43)[C@H]2OP(OCCC#N)C(C(C)C)C(C)C)(c2ccccc2)c2ccc(OC)cc2)cc1
• InChI: InChI=1S/C55H59N4O10P/c1-35(2)51(36(3)4)70(67-32-14-30-56)69-50-47(34-66-55(37-15-8-7-9-16-37,38-21-25-40(63-5)26-22-38)39-23-27-41(64-6)28-24-39)68-52(59-31-29-48(60)57-53(59)61)49(50)58-54(62)65-33-46-44-19-12-10-17-42(44)43-18-11-13-20-45(43)46/h7-13,15-29,31,35-36,46-47,49-52H,14,32-34H2,1-6H3,(H,58,62)(H,57,60,61)/t47-,49-,50-,52-,70?/m0/s1
• InChIKey: XKEDGMNGROPBIP-AOSDRZTPSA-N
• XLogP: 9.68
• TPSA: 172.36 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 12
• Rotatable Bonds: 20
• Heavy Atoms: 70
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	967.07
LogP ≤ 5	9.68
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 9H-fluoren-9-ylmethyl N-[(2S,3S,4R,5S)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-[2-cyanoethoxy(2,4-dimethylpentan-3-yl)phosphanyl]oxy-2-(2,4-dioxopyrimidin-1-yl)oxolan-3-yl]carbamate?

The IUPAC name of 9H-fluoren-9-ylmethyl N-[(2S,3S,4R,5S)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-[2-cyanoethoxy(2,4-dimethylpentan-3-yl)phosphanyl]oxy-2-(2,4-dioxopyrimidin-1-yl)oxolan-3-yl]carbamate (CID 124922896) is 9H-fluoren-9-ylmethyl N-[(2S,3S,4R,5S)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-[2-cyanoethoxy(2,4-dimethylpentan-3-yl)phosphanyl]oxy-2-(2,4-dioxopyrimidin-1-yl)oxolan-3-yl]carbamate.

What is the SMILES notation for 9H-fluoren-9-ylmethyl N-[(2S,3S,4R,5S)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-[2-cyanoethoxy(2,4-dimethylpentan-3-yl)phosphanyl]oxy-2-(2,4-dioxopyrimidin-1-yl)oxolan-3-yl]carbamate?

The canonical SMILES for 9H-fluoren-9-ylmethyl N-[(2S,3S,4R,5S)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-[2-cyanoethoxy(2,4-dimethylpentan-3-yl)phosphanyl]oxy-2-(2,4-dioxopyrimidin-1-yl)oxolan-3-yl]carbamate is COc1ccc(C(OC[C@@H]2O[C@H](n3ccc(=O)[nH]c3=O)[C@@H](NC(=O)OCC3c4ccccc4-c4ccccc43)[C@H]2OP(OCCC#N)C(C(C)C)C(C)C)(c2ccccc2)c2ccc(OC)cc2)cc1.

What is the InChIKey of 9H-fluoren-9-ylmethyl N-[(2S,3S,4R,5S)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-[2-cyanoethoxy(2,4-dimethylpentan-3-yl)phosphanyl]oxy-2-(2,4-dioxopyrimidin-1-yl)oxolan-3-yl]carbamate?

The InChIKey is XKEDGMNGROPBIP-AOSDRZTPSA-N. The full InChI is InChI=1S/C55H59N4O10P/c1-35(2)51(36(3)4)70(67-32-14-30-56)69-50-47(34-66-55(37-15-8-7-9-16-37,38-21-25-40(63-5)26-22-38)39-23-27-41(64-6)28-24-39)68-52(59-31-29-48(60)57-53(59)61)49(50)58-54(62)65-33-46-44-19-12-10-17-42(44)43-18-11-13-20-45(43)46/h7-13,15-29,31,35-36,46-47,49-52H,14,32-34H2,1-6H3,(H,58,62)(H,57,60,61)/t47-,49-,50-,52-,70?/m0/s1.

What are the key properties of 9H-fluoren-9-ylmethyl N-[(2S,3S,4R,5S)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-[2-cyanoethoxy(2,4-dimethylpentan-3-yl)phosphanyl]oxy-2-(2,4-dioxopyrimidin-1-yl)oxolan-3-yl]carbamate?

9H-fluoren-9-ylmethyl N-[(2S,3S,4R,5S)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-[2-cyanoethoxy(2,4-dimethylpentan-3-yl)phosphanyl]oxy-2-(2,4-dioxopyrimidin-1-yl)oxolan-3-yl]carbamate has a molecular weight of 967.07 g/mol, XLogP of 9.68, 20 rotatable bonds, 2 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 9H-fluoren-9-ylmethyl N-[(2S,3S,4R,5S)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-[2-cyanoethoxy(2,4-dimethylpentan-3-yl)phosphanyl]oxy-2-(2,4-dioxopyrimidin-1-yl)oxolan-3-yl]carbamate is sourced from PubChem (CID 124922896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).