9H-fluoren-9-ylmethyl 5-[[4-[[9-[(2R,5R)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-[[(2R,5R)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)-3-(4-oxopentanoyloxy)oxolan-2-yl]methoxy-propoxyphosphanyl]oxyoxolan-2-yl]purin-6-yl]carbamoyl]phenyl]methylamino]-5-oxopentanoate

C76H79N8O17P — CID 59439026

IUPAC9H-fluoren-9-ylmethyl 5-[[4-[[9-[(2R,5R)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-[[(2R,5R)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)-3-(4-oxopentanoyloxy)oxolan-2-yl]methoxy-propoxyphosphanyl]oxyoxolan-2-yl]purin-6-yl]carbamoyl]phenyl]methylamino]-5-oxopentanoate
SMILESCCCOP(OC[C@H]1O[C@@H](n2cc(C)c(=O)[nH]c2=O)CC1OC(=O)CCC(C)=O)OC1C[C@H](n2cnc3c(NC(=O)c4ccc(CNC(=O)CCCC(=O)OCC5c6ccccc6-c6ccccc65)cc4)ncnc32)O[C@@H]1COC(c1ccccc1)(c1ccc(OC)cc1)c1ccc(OC)cc1
InChIInChI=1S/C76H79N8O17P/c1-6-37-96-102(97-44-64-61(100-69(88)36-23-48(3)85)38-66(99-64)83-41-47(2)73(89)82-75(83)91)101-62-39-67(98-63(62)43-95-76(51-15-8-7-9-16-51,52-28-32-54(92-4)33-29-52)53-30-34-55(93-5)35-31-53)84-46-80-70-71(78-45-79-72(70)84)81-74(90)50-26-24-49(25-27-50)40-77-65(86)21-14-22-68(87)94-42-60-58-19-12-10-17-56(58)57-18-11-13-20-59(57)60/h7-13,15-20,24-35,41,45-46,60-64,66-67H,6,14,21-23,36-40,42-44H2,1-5H3,(H,77,86)(H,82,89,91)(H,78,79,81,90)/t61?,62?,63-,64-,66-,67-,102?/m1/s1
InChIKeyDMWWKFCBWYPLMZ-BACWYZGLSA-N
MW1407.48 g/mol
LogP11.02
Rot. Bonds32

About 9H-fluoren-9-ylmethyl 5-[[4-[[9-[(2R,5R)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-[[(2R,5R)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)-3-(4-oxopentanoyloxy)oxolan-2-yl]methoxy-propoxyphosphanyl]oxyoxolan-2-yl]purin-6-yl]carbamoyl]phenyl]methylamino]-5-oxopentanoate

9H-fluoren-9-ylmethyl 5-[[4-[[9-[(2R,5R)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-[[(2R,5R)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)-3-(4-oxopentanoyloxy)oxolan-2-yl]methoxy-propoxyphosphanyl]oxyoxolan-2-yl]purin-6-yl]carbamoyl]phenyl]methylamino]-5-oxopentanoate (PubChem CID 59439026) has the molecular formula C76H79N8O17P and a molecular weight of 1407.48 g/mol. Its IUPAC name is 9H-fluoren-9-ylmethyl 5-[[4-[[9-[(2R,5R)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-[[(2R,5R)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)-3-(4-oxopentanoyloxy)oxolan-2-yl]methoxy-propoxyphosphanyl]oxyoxolan-2-yl]purin-6-yl]carbamoyl]phenyl]methylamino]-5-oxopentanoate.

Molecular Properties

Compound Name9H-fluoren-9-ylmethyl 5-[[4-[[9-[(2R,5R)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-[[(2R,5R)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)-3-(4-oxopentanoyloxy)oxolan-2-yl]methoxy-propoxyphosphanyl]oxyoxolan-2-yl]purin-6-yl]carbamoyl]phenyl]methylamino]-5-oxopentanoate
PubChem CID59439026
Molecular FormulaC76H79N8O17P
Molecular Weight1407.48 g/mol
Exact Mass1406.53
IUPAC Name9H-fluoren-9-ylmethyl 5-[[4-[[9-[(2R,5R)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-[[(2R,5R)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)-3-(4-oxopentanoyloxy)oxolan-2-yl]methoxy-propoxyphosphanyl]oxyoxolan-2-yl]purin-6-yl]carbamoyl]phenyl]methylamino]-5-oxopentanoate
SMILESCCCOP(OC[C@H]1O[C@@H](n2cc(C)c(=O)[nH]c2=O)CC1OC(=O)CCC(C)=O)OC1C[C@H](n2cnc3c(NC(=O)c4ccc(CNC(=O)CCCC(=O)OCC5c6ccccc6-c6ccccc65)cc4)ncnc32)O[C@@H]1COC(c1ccccc1)(c1ccc(OC)cc1)c1ccc(OC)cc1
InChIInChI=1S/C76H79N8O17P/c1-6-37-96-102(97-44-64-61(100-69(88)36-23-48(3)85)38-66(99-64)83-41-47(2)73(89)82-75(83)91)101-62-39-67(98-63(62)43-95-76(51-15-8-7-9-16-51,52-28-32-54(92-4)33-29-52)53-30-34-55(93-5)35-31-53)84-46-80-70-71(78-45-79-72(70)84)81-74(90)50-26-24-49(25-27-50)40-77-65(86)21-14-22-68(87)94-42-60-58-19-12-10-17-56(58)57-18-11-13-20-59(57)60/h7-13,15-20,24-35,41,45-46,60-64,66-67H,6,14,21-23,36-40,42-44H2,1-5H3,(H,77,86)(H,82,89,91)(H,78,79,81,90)/t61?,62?,63-,64-,66-,67-,102?/m1/s1
InChIKeyDMWWKFCBWYPLMZ-BACWYZGLSA-N
XLogP11.02
TPSA300.17 Ų
H-Bond Donors3
H-Bond Acceptors22
Rotatable Bonds32
Heavy Atoms102
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001407.48
LogP ≤ 511.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1022

Computed Properties (RDKit)

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

Analyze 9H-fluoren-9-ylmethyl 5-[[4-[[9-[(2R,5R)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-[[(2R,5R)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)-3-(4-oxopentanoyloxy)oxolan-2-yl]methoxy-propoxyphosphanyl]oxyoxolan-2-yl]purin-6-yl]carbamoyl]phenyl]methylamino]-5-oxopentanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 9H-fluoren-9-ylmethyl 5-[[4-[[9-[(2R,5R)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-[[(2R,5R)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)-3-(4-oxopentanoyloxy)oxolan-2-yl]methoxy-propoxyphosphanyl]oxyoxolan-2-yl]purin-6-yl]carbamoyl]phenyl]methylamino]-5-oxopentanoate?
The IUPAC name of 9H-fluoren-9-ylmethyl 5-[[4-[[9-[(2R,5R)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-[[(2R,5R)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)-3-(4-oxopentanoyloxy)oxolan-2-yl]methoxy-propoxyphosphanyl]oxyoxolan-2-yl]purin-6-yl]carbamoyl]phenyl]methylamino]-5-oxopentanoate (CID 59439026) is 9H-fluoren-9-ylmethyl 5-[[4-[[9-[(2R,5R)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-[[(2R,5R)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)-3-(4-oxopentanoyloxy)oxolan-2-yl]methoxy-propoxyphosphanyl]oxyoxolan-2-yl]purin-6-yl]carbamoyl]phenyl]methylamino]-5-oxopentanoate.
What is the SMILES notation for 9H-fluoren-9-ylmethyl 5-[[4-[[9-[(2R,5R)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-[[(2R,5R)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)-3-(4-oxopentanoyloxy)oxolan-2-yl]methoxy-propoxyphosphanyl]oxyoxolan-2-yl]purin-6-yl]carbamoyl]phenyl]methylamino]-5-oxopentanoate?
The canonical SMILES for 9H-fluoren-9-ylmethyl 5-[[4-[[9-[(2R,5R)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-[[(2R,5R)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)-3-(4-oxopentanoyloxy)oxolan-2-yl]methoxy-propoxyphosphanyl]oxyoxolan-2-yl]purin-6-yl]carbamoyl]phenyl]methylamino]-5-oxopentanoate is CCCOP(OC[C@H]1O[C@@H](n2cc(C)c(=O)[nH]c2=O)CC1OC(=O)CCC(C)=O)OC1C[C@H](n2cnc3c(NC(=O)c4ccc(CNC(=O)CCCC(=O)OCC5c6ccccc6-c6ccccc65)cc4)ncnc32)O[C@@H]1COC(c1ccccc1)(c1ccc(OC)cc1)c1ccc(OC)cc1.
What is the InChIKey of 9H-fluoren-9-ylmethyl 5-[[4-[[9-[(2R,5R)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-[[(2R,5R)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)-3-(4-oxopentanoyloxy)oxolan-2-yl]methoxy-propoxyphosphanyl]oxyoxolan-2-yl]purin-6-yl]carbamoyl]phenyl]methylamino]-5-oxopentanoate?
The InChIKey is DMWWKFCBWYPLMZ-BACWYZGLSA-N. The full InChI is InChI=1S/C76H79N8O17P/c1-6-37-96-102(97-44-64-61(100-69(88)36-23-48(3)85)38-66(99-64)83-41-47(2)73(89)82-75(83)91)101-62-39-67(98-63(62)43-95-76(51-15-8-7-9-16-51,52-28-32-54(92-4)33-29-52)53-30-34-55(93-5)35-31-53)84-46-80-70-71(78-45-79-72(70)84)81-74(90)50-26-24-49(25-27-50)40-77-65(86)21-14-22-68(87)94-42-60-58-19-12-10-17-56(58)57-18-11-13-20-59(57)60/h7-13,15-20,24-35,41,45-46,60-64,66-67H,6,14,21-23,36-40,42-44H2,1-5H3,(H,77,86)(H,82,89,91)(H,78,79,81,90)/t61?,62?,63-,64-,66-,67-,102?/m1/s1.
What are the key properties of 9H-fluoren-9-ylmethyl 5-[[4-[[9-[(2R,5R)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-[[(2R,5R)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)-3-(4-oxopentanoyloxy)oxolan-2-yl]methoxy-propoxyphosphanyl]oxyoxolan-2-yl]purin-6-yl]carbamoyl]phenyl]methylamino]-5-oxopentanoate?
9H-fluoren-9-ylmethyl 5-[[4-[[9-[(2R,5R)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-[[(2R,5R)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)-3-(4-oxopentanoyloxy)oxolan-2-yl]methoxy-propoxyphosphanyl]oxyoxolan-2-yl]purin-6-yl]carbamoyl]phenyl]methylamino]-5-oxopentanoate has a molecular weight of 1407.48 g/mol, XLogP of 11.02, 32 rotatable bonds, 3 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for 9H-fluoren-9-ylmethyl 5-[[4-[[9-[(2R,5R)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-[[(2R,5R)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)-3-(4-oxopentanoyloxy)oxolan-2-yl]methoxy-propoxyphosphanyl]oxyoxolan-2-yl]purin-6-yl]carbamoyl]phenyl]methylamino]-5-oxopentanoate is sourced from PubChem (CID 59439026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).