[(2R,3R,5R)-5-(6-benzamidopurin-9-yl)-2-[[[(2R,3R,5R)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-5-[2,4-dioxo-5-[3-[6-[(2,2,2-trifluoroacetyl)amino]hexanoylamino]prop-1-ynyl]pyrimidin-1-yl]oxolan-3-yl]oxy-(2-isocyanoethoxy)phosphoryl]oxymethyl]oxolan-3-yl] 4-oxopentanoate;[(2R,3R,5R)-5-(6-benzamidopurin-9-yl)-3-hydroxyoxolan-2-yl]methyl [(2R,3R,5R)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-5-[2,4-dioxo-5-[3-[6-[(2,2,2-trifluoroacetyl)amino]hexanoylamino]prop-1-ynyl]pyrimidin-1-yl]oxolan-3-yl] 2-isocyanoethyl phosphate;ethane

C129H136F6N20O32P2 — CID 91149625

IUPAC[(2R,3R,5R)-5-(6-benzamidopurin-9-yl)-2-[[[(2R,3R,5R)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-5-[2,4-dioxo-5-[3-[6-[(2,2,2-trifluoroacetyl)amino]hexanoylamino]prop-1-ynyl]pyrimidin-1-yl]oxolan-3-yl]oxy-(2-isocyanoethoxy)phosphoryl]oxymethyl]oxolan-3-yl] 4-oxopentanoate;[(2R,3R,5R)-5-(6-benzamidopurin-9-yl)-3-hydroxyoxolan-2-yl]methyl [(2R,3R,5R)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-5-[2,4-dioxo-5-[3-[6-[(2,2,2-trifluoroacetyl)amino]hexanoylamino]prop-1-ynyl]pyrimidin-1-yl]oxolan-3-yl] 2-isocyanoethyl phosphate;ethane
SMILESCC.[C-]#[N+]CCOP(=O)(OC[C@H]1O[C@@H](n2cnc3c(NC(=O)c4ccccc4)ncnc32)C[C@H]1O)O[C@@H]1C[C@H](n2cc(C#CCNC(=O)CCCCCNC(=O)C(F)(F)F)c(=O)[nH]c2=O)O[C@@H]1COC(c1ccccc1)(c1ccc(OC)cc1)c1ccc(OC)cc1.[C-]#[N+]CCOP(=O)(OC[C@H]1O[C@@H](n2cnc3c(NC(=O)c4ccccc4)ncnc32)C[C@H]1OC(=O)CCC(C)=O)O[C@@H]1C[C@H](n2cc(C#CCNC(=O)CCCCCNC(=O)C(F)(F)F)c(=O)[nH]c2=O)O[C@@H]1COC(c1ccccc1)(c1ccc(OC)cc1)c1ccc(OC)cc1
InChIInChI=1S/C66H68F3N10O17P.C61H62F3N10O15P.C2H6/c1-42(80)21-30-57(82)95-50-35-56(79-41-75-58-59(73-40-74-60(58)79)76-61(83)43-15-8-5-9-16-43)94-53(50)39-92-97(87,91-34-33-70-2)96-51-36-55(78-37-44(62(84)77-64(78)86)17-14-32-71-54(81)20-12-7-13-31-72-63(85)66(67,68)69)93-52(51)38-90-65(45-18-10-6-11-19-45,46-22-26-48(88-3)27-23-46)47-24-28-49(89-4)29-25-47;1-65-30-31-85-90(81,86-36-48-46(75)32-51(87-48)74-38-70-53-54(68-37-69-55(53)74)71-56(77)39-14-7-4-8-15-39)89-47-33-52(73-34-40(57(78)72-59(73)80)16-13-29-66-50(76)19-11-6-12-28-67-58(79)61(62,63)64)88-49(47)35-84-60(41-17-9-5-10-18-41,42-20-24-44(82-2)25-21-42)43-22-26-45(83-3)27-23-43;1-2/h5-6,8-11,15-16,18-19,22-29,37,40-41,50-53,55-56H,7,12-13,20-21,30-36,38-39H2,1,3-4H3,(H,71,81)(H,72,85)(H,77,84,86)(H,73,74,76,83);4-5,7-10,14-15,17-18,20-27,34,37-38,46-49,51-52,75H,6,11-12,19,28-33,35-36H2,2-3H3,(H,66,76)(H,67,79)(H,72,78,80)(H,68,69,71,77);1-2H3/t50-,51-,52-,53-,55-,56-,97?;46-,47-,48-,49-,51-,52-,90?;/m11./s1
InChIKeyZYIRGBBBTKNSET-YLVALMOSSA-N
MW2654.55 g/mol
LogP15.43
Rot. Bonds58

About [(2R,3R,5R)-5-(6-benzamidopurin-9-yl)-2-[[[(2R,3R,5R)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-5-[2,4-dioxo-5-[3-[6-[(2,2,2-trifluoroacetyl)amino]hexanoylamino]prop-1-ynyl]pyrimidin-1-yl]oxolan-3-yl]oxy-(2-isocyanoethoxy)phosphoryl]oxymethyl]oxolan-3-yl] 4-oxopentanoate;[(2R,3R,5R)-5-(6-benzamidopurin-9-yl)-3-hydroxyoxolan-2-yl]methyl [(2R,3R,5R)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-5-[2,4-dioxo-5-[3-[6-[(2,2,2-trifluoroacetyl)amino]hexanoylamino]prop-1-ynyl]pyrimidin-1-yl]oxolan-3-yl] 2-isocyanoethyl phosphate;ethane

[(2R,3R,5R)-5-(6-benzamidopurin-9-yl)-2-[[[(2R,3R,5R)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-5-[2,4-dioxo-5-[3-[6-[(2,2,2-trifluoroacetyl)amino]hexanoylamino]prop-1-ynyl]pyrimidin-1-yl]oxolan-3-yl]oxy-(2-isocyanoethoxy)phosphoryl]oxymethyl]oxolan-3-yl] 4-oxopentanoate;[(2R,3R,5R)-5-(6-benzamidopurin-9-yl)-3-hydroxyoxolan-2-yl]methyl [(2R,3R,5R)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-5-[2,4-dioxo-5-[3-[6-[(2,2,2-trifluoroacetyl)amino]hexanoylamino]prop-1-ynyl]pyrimidin-1-yl]oxolan-3-yl] 2-isocyanoethyl phosphate;ethane (PubChem CID 91149625) has the molecular formula C129H136F6N20O32P2 and a molecular weight of 2654.55 g/mol. Its IUPAC name is [(2R,3R,5R)-5-(6-benzamidopurin-9-yl)-2-[[[(2R,3R,5R)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-5-[2,4-dioxo-5-[3-[6-[(2,2,2-trifluoroacetyl)amino]hexanoylamino]prop-1-ynyl]pyrimidin-1-yl]oxolan-3-yl]oxy-(2-isocyanoethoxy)phosphoryl]oxymethyl]oxolan-3-yl] 4-oxopentanoate;[(2R,3R,5R)-5-(6-benzamidopurin-9-yl)-3-hydroxyoxolan-2-yl]methyl [(2R,3R,5R)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-5-[2,4-dioxo-5-[3-[6-[(2,2,2-trifluoroacetyl)amino]hexanoylamino]prop-1-ynyl]pyrimidin-1-yl]oxolan-3-yl] 2-isocyanoethyl phosphate;ethane.

Molecular Properties

Compound Name[(2R,3R,5R)-5-(6-benzamidopurin-9-yl)-2-[[[(2R,3R,5R)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-5-[2,4-dioxo-5-[3-[6-[(2,2,2-trifluoroacetyl)amino]hexanoylamino]prop-1-ynyl]pyrimidin-1-yl]oxolan-3-yl]oxy-(2-isocyanoethoxy)phosphoryl]oxymethyl]oxolan-3-yl] 4-oxopentanoate;[(2R,3R,5R)-5-(6-benzamidopurin-9-yl)-3-hydroxyoxolan-2-yl]methyl [(2R,3R,5R)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-5-[2,4-dioxo-5-[3-[6-[(2,2,2-trifluoroacetyl)amino]hexanoylamino]prop-1-ynyl]pyrimidin-1-yl]oxolan-3-yl] 2-isocyanoethyl phosphate;ethane
PubChem CID91149625
Molecular FormulaC129H136F6N20O32P2
Molecular Weight2654.55 g/mol
Exact Mass2652.90
IUPAC Name[(2R,3R,5R)-5-(6-benzamidopurin-9-yl)-2-[[[(2R,3R,5R)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-5-[2,4-dioxo-5-[3-[6-[(2,2,2-trifluoroacetyl)amino]hexanoylamino]prop-1-ynyl]pyrimidin-1-yl]oxolan-3-yl]oxy-(2-isocyanoethoxy)phosphoryl]oxymethyl]oxolan-3-yl] 4-oxopentanoate;[(2R,3R,5R)-5-(6-benzamidopurin-9-yl)-3-hydroxyoxolan-2-yl]methyl [(2R,3R,5R)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-5-[2,4-dioxo-5-[3-[6-[(2,2,2-trifluoroacetyl)amino]hexanoylamino]prop-1-ynyl]pyrimidin-1-yl]oxolan-3-yl] 2-isocyanoethyl phosphate;ethane
SMILESCC.[C-]#[N+]CCOP(=O)(OC[C@H]1O[C@@H](n2cnc3c(NC(=O)c4ccccc4)ncnc32)C[C@H]1O)O[C@@H]1C[C@H](n2cc(C#CCNC(=O)CCCCCNC(=O)C(F)(F)F)c(=O)[nH]c2=O)O[C@@H]1COC(c1ccccc1)(c1ccc(OC)cc1)c1ccc(OC)cc1.[C-]#[N+]CCOP(=O)(OC[C@H]1O[C@@H](n2cnc3c(NC(=O)c4ccccc4)ncnc32)C[C@H]1OC(=O)CCC(C)=O)O[C@@H]1C[C@H](n2cc(C#CCNC(=O)CCCCCNC(=O)C(F)(F)F)c(=O)[nH]c2=O)O[C@@H]1COC(c1ccccc1)(c1ccc(OC)cc1)c1ccc(OC)cc1
InChIInChI=1S/C66H68F3N10O17P.C61H62F3N10O15P.C2H6/c1-42(80)21-30-57(82)95-50-35-56(79-41-75-58-59(73-40-74-60(58)79)76-61(83)43-15-8-5-9-16-43)94-53(50)39-92-97(87,91-34-33-70-2)96-51-36-55(78-37-44(62(84)77-64(78)86)17-14-32-71-54(81)20-12-7-13-31-72-63(85)66(67,68)69)93-52(51)38-90-65(45-18-10-6-11-19-45,46-22-26-48(88-3)27-23-46)47-24-28-49(89-4)29-25-47;1-65-30-31-85-90(81,86-36-48-46(75)32-51(87-48)74-38-70-53-54(68-37-69-55(53)74)71-56(77)39-14-7-4-8-15-39)89-47-33-52(73-34-40(57(78)72-59(73)80)16-13-29-66-50(76)19-11-6-12-28-67-58(79)61(62,63)64)88-49(47)35-84-60(41-17-9-5-10-18-41,42-20-24-44(82-2)25-21-42)43-22-26-45(83-3)27-23-43;1-2/h5-6,8-11,15-16,18-19,22-29,37,40-41,50-53,55-56H,7,12-13,20-21,30-36,38-39H2,1,3-4H3,(H,71,81)(H,72,85)(H,77,84,86)(H,73,74,76,83);4-5,7-10,14-15,17-18,20-27,34,37-38,46-49,51-52,75H,6,11-12,19,28-33,35-36H2,2-3H3,(H,66,76)(H,67,79)(H,72,78,80)(H,68,69,71,77);1-2H3/t50-,51-,52-,53-,55-,56-,97?;46-,47-,48-,49-,51-,52-,90?;/m11./s1
InChIKeyZYIRGBBBTKNSET-YLVALMOSSA-N
XLogP15.43
TPSA625.66 Ų
H-Bond Donors9
H-Bond Acceptors42
Rotatable Bonds58
Heavy Atoms189
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002654.55
LogP ≤ 515.43
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1042

Computed Properties (RDKit)

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

Analyze [(2R,3R,5R)-5-(6-benzamidopurin-9-yl)-2-[[[(2R,3R,5R)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-5-[2,4-dioxo-5-[3-[6-[(2,2,2-trifluoroacetyl)amino]hexanoylamino]prop-1-ynyl]pyrimidin-1-yl]oxolan-3-yl]oxy-(2-isocyanoethoxy)phosphoryl]oxymethyl]oxolan-3-yl] 4-oxopentanoate;[(2R,3R,5R)-5-(6-benzamidopurin-9-yl)-3-hydroxyoxolan-2-yl]methyl [(2R,3R,5R)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-5-[2,4-dioxo-5-[3-[6-[(2,2,2-trifluoroacetyl)amino]hexanoylamino]prop-1-ynyl]pyrimidin-1-yl]oxolan-3-yl] 2-isocyanoethyl phosphate;ethane with MolForge

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

Launch Full Analysis

Related Compounds

[(2R,3S,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-3-[[(2R,3S,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-3-[[(2R,3S,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-3-[[(2R,3S,5R)-3-[[(2R,3S,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-5-(6-aminopurin-9-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl]oxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxyoxolan-2-yl]methyl [(2R,3S,5R)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl] hydrogen phosphate;pentakis(N,N-diethylethanamine)
CID 49796604
Dimethoxytrityl-TGGGAGGTGGGTCTG
CID 16130276
Dimethoxytrityl-TGGGAG-3'
CID 16197656
Dimethoxytrityl-TGGGAGGTGGGTATG
CID 16197642
Dimethoxytrityl-TGGGAGGTGGATCTG
CID 16197643
Dimethoxytrityl-TGGGAGGAGGGTCTG
CID 16197644
Dimethoxytrityl-TGGGAAGTGGGTCTG
CID 16197645
Dimethoxytrityl-TGGAAGGTGGGTCTG
CID 16197646
Dimethoxytrityl-TGAGAGGTGGGTCTG
CID 16197647
Dimethoxytrityl-TGGGAGGTGGGTCT
CID 16197648
Dimethoxytrityl-TGGGAGGTGGGTC
CID 16197649
Dimethoxytrityl-TGGGAGGTGGGT
CID 16197650

Frequently Asked Questions

What is the IUPAC name of [(2R,3R,5R)-5-(6-benzamidopurin-9-yl)-2-[[[(2R,3R,5R)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-5-[2,4-dioxo-5-[3-[6-[(2,2,2-trifluoroacetyl)amino]hexanoylamino]prop-1-ynyl]pyrimidin-1-yl]oxolan-3-yl]oxy-(2-isocyanoethoxy)phosphoryl]oxymethyl]oxolan-3-yl] 4-oxopentanoate;[(2R,3R,5R)-5-(6-benzamidopurin-9-yl)-3-hydroxyoxolan-2-yl]methyl [(2R,3R,5R)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-5-[2,4-dioxo-5-[3-[6-[(2,2,2-trifluoroacetyl)amino]hexanoylamino]prop-1-ynyl]pyrimidin-1-yl]oxolan-3-yl] 2-isocyanoethyl phosphate;ethane?
The IUPAC name of [(2R,3R,5R)-5-(6-benzamidopurin-9-yl)-2-[[[(2R,3R,5R)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-5-[2,4-dioxo-5-[3-[6-[(2,2,2-trifluoroacetyl)amino]hexanoylamino]prop-1-ynyl]pyrimidin-1-yl]oxolan-3-yl]oxy-(2-isocyanoethoxy)phosphoryl]oxymethyl]oxolan-3-yl] 4-oxopentanoate;[(2R,3R,5R)-5-(6-benzamidopurin-9-yl)-3-hydroxyoxolan-2-yl]methyl [(2R,3R,5R)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-5-[2,4-dioxo-5-[3-[6-[(2,2,2-trifluoroacetyl)amino]hexanoylamino]prop-1-ynyl]pyrimidin-1-yl]oxolan-3-yl] 2-isocyanoethyl phosphate;ethane (CID 91149625) is [(2R,3R,5R)-5-(6-benzamidopurin-9-yl)-2-[[[(2R,3R,5R)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-5-[2,4-dioxo-5-[3-[6-[(2,2,2-trifluoroacetyl)amino]hexanoylamino]prop-1-ynyl]pyrimidin-1-yl]oxolan-3-yl]oxy-(2-isocyanoethoxy)phosphoryl]oxymethyl]oxolan-3-yl] 4-oxopentanoate;[(2R,3R,5R)-5-(6-benzamidopurin-9-yl)-3-hydroxyoxolan-2-yl]methyl [(2R,3R,5R)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-5-[2,4-dioxo-5-[3-[6-[(2,2,2-trifluoroacetyl)amino]hexanoylamino]prop-1-ynyl]pyrimidin-1-yl]oxolan-3-yl] 2-isocyanoethyl phosphate;ethane.
What is the SMILES notation for [(2R,3R,5R)-5-(6-benzamidopurin-9-yl)-2-[[[(2R,3R,5R)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-5-[2,4-dioxo-5-[3-[6-[(2,2,2-trifluoroacetyl)amino]hexanoylamino]prop-1-ynyl]pyrimidin-1-yl]oxolan-3-yl]oxy-(2-isocyanoethoxy)phosphoryl]oxymethyl]oxolan-3-yl] 4-oxopentanoate;[(2R,3R,5R)-5-(6-benzamidopurin-9-yl)-3-hydroxyoxolan-2-yl]methyl [(2R,3R,5R)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-5-[2,4-dioxo-5-[3-[6-[(2,2,2-trifluoroacetyl)amino]hexanoylamino]prop-1-ynyl]pyrimidin-1-yl]oxolan-3-yl] 2-isocyanoethyl phosphate;ethane?
The canonical SMILES for [(2R,3R,5R)-5-(6-benzamidopurin-9-yl)-2-[[[(2R,3R,5R)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-5-[2,4-dioxo-5-[3-[6-[(2,2,2-trifluoroacetyl)amino]hexanoylamino]prop-1-ynyl]pyrimidin-1-yl]oxolan-3-yl]oxy-(2-isocyanoethoxy)phosphoryl]oxymethyl]oxolan-3-yl] 4-oxopentanoate;[(2R,3R,5R)-5-(6-benzamidopurin-9-yl)-3-hydroxyoxolan-2-yl]methyl [(2R,3R,5R)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-5-[2,4-dioxo-5-[3-[6-[(2,2,2-trifluoroacetyl)amino]hexanoylamino]prop-1-ynyl]pyrimidin-1-yl]oxolan-3-yl] 2-isocyanoethyl phosphate;ethane is CC.[C-]#[N+]CCOP(=O)(OC[C@H]1O[C@@H](n2cnc3c(NC(=O)c4ccccc4)ncnc32)C[C@H]1O)O[C@@H]1C[C@H](n2cc(C#CCNC(=O)CCCCCNC(=O)C(F)(F)F)c(=O)[nH]c2=O)O[C@@H]1COC(c1ccccc1)(c1ccc(OC)cc1)c1ccc(OC)cc1.[C-]#[N+]CCOP(=O)(OC[C@H]1O[C@@H](n2cnc3c(NC(=O)c4ccccc4)ncnc32)C[C@H]1OC(=O)CCC(C)=O)O[C@@H]1C[C@H](n2cc(C#CCNC(=O)CCCCCNC(=O)C(F)(F)F)c(=O)[nH]c2=O)O[C@@H]1COC(c1ccccc1)(c1ccc(OC)cc1)c1ccc(OC)cc1.
What is the InChIKey of [(2R,3R,5R)-5-(6-benzamidopurin-9-yl)-2-[[[(2R,3R,5R)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-5-[2,4-dioxo-5-[3-[6-[(2,2,2-trifluoroacetyl)amino]hexanoylamino]prop-1-ynyl]pyrimidin-1-yl]oxolan-3-yl]oxy-(2-isocyanoethoxy)phosphoryl]oxymethyl]oxolan-3-yl] 4-oxopentanoate;[(2R,3R,5R)-5-(6-benzamidopurin-9-yl)-3-hydroxyoxolan-2-yl]methyl [(2R,3R,5R)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-5-[2,4-dioxo-5-[3-[6-[(2,2,2-trifluoroacetyl)amino]hexanoylamino]prop-1-ynyl]pyrimidin-1-yl]oxolan-3-yl] 2-isocyanoethyl phosphate;ethane?
The InChIKey is ZYIRGBBBTKNSET-YLVALMOSSA-N. The full InChI is InChI=1S/C66H68F3N10O17P.C61H62F3N10O15P.C2H6/c1-42(80)21-30-57(82)95-50-35-56(79-41-75-58-59(73-40-74-60(58)79)76-61(83)43-15-8-5-9-16-43)94-53(50)39-92-97(87,91-34-33-70-2)96-51-36-55(78-37-44(62(84)77-64(78)86)17-14-32-71-54(81)20-12-7-13-31-72-63(85)66(67,68)69)93-52(51)38-90-65(45-18-10-6-11-19-45,46-22-26-48(88-3)27-23-46)47-24-28-49(89-4)29-25-47;1-65-30-31-85-90(81,86-36-48-46(75)32-51(87-48)74-38-70-53-54(68-37-69-55(53)74)71-56(77)39-14-7-4-8-15-39)89-47-33-52(73-34-40(57(78)72-59(73)80)16-13-29-66-50(76)19-11-6-12-28-67-58(79)61(62,63)64)88-49(47)35-84-60(41-17-9-5-10-18-41,42-20-24-44(82-2)25-21-42)43-22-26-45(83-3)27-23-43;1-2/h5-6,8-11,15-16,18-19,22-29,37,40-41,50-53,55-56H,7,12-13,20-21,30-36,38-39H2,1,3-4H3,(H,71,81)(H,72,85)(H,77,84,86)(H,73,74,76,83);4-5,7-10,14-15,17-18,20-27,34,37-38,46-49,51-52,75H,6,11-12,19,28-33,35-36H2,2-3H3,(H,66,76)(H,67,79)(H,72,78,80)(H,68,69,71,77);1-2H3/t50-,51-,52-,53-,55-,56-,97?;46-,47-,48-,49-,51-,52-,90?;/m11./s1.
What are the key properties of [(2R,3R,5R)-5-(6-benzamidopurin-9-yl)-2-[[[(2R,3R,5R)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-5-[2,4-dioxo-5-[3-[6-[(2,2,2-trifluoroacetyl)amino]hexanoylamino]prop-1-ynyl]pyrimidin-1-yl]oxolan-3-yl]oxy-(2-isocyanoethoxy)phosphoryl]oxymethyl]oxolan-3-yl] 4-oxopentanoate;[(2R,3R,5R)-5-(6-benzamidopurin-9-yl)-3-hydroxyoxolan-2-yl]methyl [(2R,3R,5R)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-5-[2,4-dioxo-5-[3-[6-[(2,2,2-trifluoroacetyl)amino]hexanoylamino]prop-1-ynyl]pyrimidin-1-yl]oxolan-3-yl] 2-isocyanoethyl phosphate;ethane?
[(2R,3R,5R)-5-(6-benzamidopurin-9-yl)-2-[[[(2R,3R,5R)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-5-[2,4-dioxo-5-[3-[6-[(2,2,2-trifluoroacetyl)amino]hexanoylamino]prop-1-ynyl]pyrimidin-1-yl]oxolan-3-yl]oxy-(2-isocyanoethoxy)phosphoryl]oxymethyl]oxolan-3-yl] 4-oxopentanoate;[(2R,3R,5R)-5-(6-benzamidopurin-9-yl)-3-hydroxyoxolan-2-yl]methyl [(2R,3R,5R)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-5-[2,4-dioxo-5-[3-[6-[(2,2,2-trifluoroacetyl)amino]hexanoylamino]prop-1-ynyl]pyrimidin-1-yl]oxolan-3-yl] 2-isocyanoethyl phosphate;ethane has a molecular weight of 2654.55 g/mol, XLogP of 15.43, 58 rotatable bonds, 9 hydrogen bond donors, and 42 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3R,5R)-5-(6-benzamidopurin-9-yl)-2-[[[(2R,3R,5R)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-5-[2,4-dioxo-5-[3-[6-[(2,2,2-trifluoroacetyl)amino]hexanoylamino]prop-1-ynyl]pyrimidin-1-yl]oxolan-3-yl]oxy-(2-isocyanoethoxy)phosphoryl]oxymethyl]oxolan-3-yl] 4-oxopentanoate;[(2R,3R,5R)-5-(6-benzamidopurin-9-yl)-3-hydroxyoxolan-2-yl]methyl [(2R,3R,5R)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-5-[2,4-dioxo-5-[3-[6-[(2,2,2-trifluoroacetyl)amino]hexanoylamino]prop-1-ynyl]pyrimidin-1-yl]oxolan-3-yl] 2-isocyanoethyl phosphate;ethane is sourced from PubChem (CID 91149625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).