[[2-[[amino-[[4-[4-[2-[[11-amino-5-[6-oxo-6-(6-thiophosphorosooxyhexylamino)hexanoyl]-6H-benzo[c][1]benzazocin-12-yl]amino]ethoxy]benzoyl]oxyphenyl]methylsulfanyl]phosphoryl]oxymethyl]-5-(2-amino-6-oxo-1H-purin-9-yl)oxolan-3-yl]amino]-[[5-(6-aminopurin-9-yl)-3-methyloxolan-2-yl]methoxy]-oxophosphanium

C64H76N16O13P3S2+ — CID 163491743

IUPAC[[2-[[amino-[[4-[4-[2-[[11-amino-5-[6-oxo-6-(6-thiophosphorosooxyhexylamino)hexanoyl]-6H-benzo[c][1]benzazocin-12-yl]amino]ethoxy]benzoyl]oxyphenyl]methylsulfanyl]phosphoryl]oxymethyl]-5-(2-amino-6-oxo-1H-purin-9-yl)oxolan-3-yl]amino]-[[5-(6-aminopurin-9-yl)-3-methyloxolan-2-yl]methoxy]-oxophosphanium
SMILESCC1CC(n2cnc3c(N)ncnc32)OC1CO[P+](=O)NC1CC(n2cnc3c(=O)[nH]c(N)nc32)OC1COP(N)(=O)SCc1ccc(OC(=O)c2ccc(OCCNC3=C(N)c4ccccc4CN(C(=O)CCCCC(=O)NCCCCCCOP=S)c4ccccc43)cc2)cc1
InChIInChI=1S/C64H75N16O13P3S2/c1-39-30-53(79-37-73-57-59(66)71-36-72-60(57)79)92-49(39)33-89-95(85)77-47-31-54(80-38-74-58-61(80)75-64(67)76-62(58)83)93-50(47)34-90-96(68,86)98-35-40-18-22-44(23-19-40)91-63(84)41-20-24-43(25-21-41)87-29-27-70-56-46-14-6-7-15-48(46)78(32-42-12-4-5-13-45(42)55(56)65)52(82)17-9-8-16-51(81)69-26-10-2-3-11-28-88-94-97/h4-7,12-15,18-25,36-39,47,49-50,53-54,70H,2-3,8-11,16-17,26-35,65H2,1H3,(H8-,66,67,68,69,71,72,75,76,77,81,83,85,86)/p+1
InChIKeyLOETVXREEASECU-UHFFFAOYSA-O
MW1434.47 g/mol
LogP9.08
Rot. Bonds33

About [[2-[[amino-[[4-[4-[2-[[11-amino-5-[6-oxo-6-(6-thiophosphorosooxyhexylamino)hexanoyl]-6H-benzo[c][1]benzazocin-12-yl]amino]ethoxy]benzoyl]oxyphenyl]methylsulfanyl]phosphoryl]oxymethyl]-5-(2-amino-6-oxo-1H-purin-9-yl)oxolan-3-yl]amino]-[[5-(6-aminopurin-9-yl)-3-methyloxolan-2-yl]methoxy]-oxophosphanium

[[2-[[amino-[[4-[4-[2-[[11-amino-5-[6-oxo-6-(6-thiophosphorosooxyhexylamino)hexanoyl]-6H-benzo[c][1]benzazocin-12-yl]amino]ethoxy]benzoyl]oxyphenyl]methylsulfanyl]phosphoryl]oxymethyl]-5-(2-amino-6-oxo-1H-purin-9-yl)oxolan-3-yl]amino]-[[5-(6-aminopurin-9-yl)-3-methyloxolan-2-yl]methoxy]-oxophosphanium (PubChem CID 163491743) has the molecular formula C64H76N16O13P3S2+ and a molecular weight of 1434.47 g/mol. Its IUPAC name is [[2-[[amino-[[4-[4-[2-[[11-amino-5-[6-oxo-6-(6-thiophosphorosooxyhexylamino)hexanoyl]-6H-benzo[c][1]benzazocin-12-yl]amino]ethoxy]benzoyl]oxyphenyl]methylsulfanyl]phosphoryl]oxymethyl]-5-(2-amino-6-oxo-1H-purin-9-yl)oxolan-3-yl]amino]-[[5-(6-aminopurin-9-yl)-3-methyloxolan-2-yl]methoxy]-oxophosphanium.

Molecular Properties

Compound Name[[2-[[amino-[[4-[4-[2-[[11-amino-5-[6-oxo-6-(6-thiophosphorosooxyhexylamino)hexanoyl]-6H-benzo[c][1]benzazocin-12-yl]amino]ethoxy]benzoyl]oxyphenyl]methylsulfanyl]phosphoryl]oxymethyl]-5-(2-amino-6-oxo-1H-purin-9-yl)oxolan-3-yl]amino]-[[5-(6-aminopurin-9-yl)-3-methyloxolan-2-yl]methoxy]-oxophosphanium
PubChem CID163491743
Molecular FormulaC64H76N16O13P3S2+
Molecular Weight1434.47 g/mol
Exact Mass1433.44
IUPAC Name[[2-[[amino-[[4-[4-[2-[[11-amino-5-[6-oxo-6-(6-thiophosphorosooxyhexylamino)hexanoyl]-6H-benzo[c][1]benzazocin-12-yl]amino]ethoxy]benzoyl]oxyphenyl]methylsulfanyl]phosphoryl]oxymethyl]-5-(2-amino-6-oxo-1H-purin-9-yl)oxolan-3-yl]amino]-[[5-(6-aminopurin-9-yl)-3-methyloxolan-2-yl]methoxy]-oxophosphanium
SMILESCC1CC(n2cnc3c(N)ncnc32)OC1CO[P+](=O)NC1CC(n2cnc3c(=O)[nH]c(N)nc32)OC1COP(N)(=O)SCc1ccc(OC(=O)c2ccc(OCCNC3=C(N)c4ccccc4CN(C(=O)CCCCC(=O)NCCCCCCOP=S)c4ccccc43)cc2)cc1
InChIInChI=1S/C64H75N16O13P3S2/c1-39-30-53(79-37-73-57-59(66)71-36-72-60(57)79)92-49(39)33-89-95(85)77-47-31-54(80-38-74-58-61(80)75-64(67)76-62(58)83)93-50(47)34-90-96(68,86)98-35-40-18-22-44(23-19-40)91-63(84)41-20-24-43(25-21-41)87-29-27-70-56-46-14-6-7-15-48(46)78(32-42-12-4-5-13-45(42)55(56)65)52(82)17-9-8-16-51(81)69-26-10-2-3-11-28-88-94-97/h4-7,12-15,18-25,36-39,47,49-50,53-54,70H,2-3,8-11,16-17,26-35,65H2,1H3,(H8-,66,67,68,69,71,72,75,76,77,81,83,85,86)/p+1
InChIKeyLOETVXREEASECU-UHFFFAOYSA-O
XLogP9.08
TPSA400.54 Ų
H-Bond Donors8
H-Bond Acceptors26
Rotatable Bonds33
Heavy Atoms98
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001434.47
LogP ≤ 59.08
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1026

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'phenol_ester', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

Analyze [[2-[[amino-[[4-[4-[2-[[11-amino-5-[6-oxo-6-(6-thiophosphorosooxyhexylamino)hexanoyl]-6H-benzo[c][1]benzazocin-12-yl]amino]ethoxy]benzoyl]oxyphenyl]methylsulfanyl]phosphoryl]oxymethyl]-5-(2-amino-6-oxo-1H-purin-9-yl)oxolan-3-yl]amino]-[[5-(6-aminopurin-9-yl)-3-methyloxolan-2-yl]methoxy]-oxophosphanium 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

[[(2S,3S,5R)-2-[[amino(hydroxy)phosphinothioyl]oxymethyl]-5-(6-aminopurin-9-yl)oxolan-3-yl]amino]-[[(2S,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)oxolan-2-yl]methoxy]-oxophosphanium
CID 137421145
[4-[[(1S,3S,6S,8R,9R,10R,15S,17R,18R)-17-(2-amino-6-oxo-1H-purin-9-yl)-8-(6-aminopurin-9-yl)-9,12,18-trihydroxy-3-oxo-12-sulfanylidene-4,7,13,16-tetraoxa-2,11-diaza-3λ5,12λ5-diphosphatricyclo[13.3.0.06,10]octadecan-3-yl]sulfanylmethyl]phenyl] 4-[2-(13-acetyl-3,4,5,13-tetrazatetracyclo[13.4.0.02,6.07,12]nonadeca-1(19),2(6),4,7,9,11,15,17-octaen-3-yl)ethoxy]benzoate
CID 170936657
[4-[[[(3R,4R,5R)-5-(6-aminopurin-9-yl)-4-fluoro-2-methyloxolan-3-yl]oxy-ethoxyphosphoryl]sulfanylmethyl]phenyl] 4-[2-(13-propanoyl-3,4,5,13-tetrazatetracyclo[13.4.0.02,6.07,12]nonadeca-1(19),2(6),4,7,9,11,15,17-octaen-3-yl)ethoxy]benzoate
CID 174204639
[3-[[5-(2-amino-6-oxo-1H-purin-9-yl)-3-[[5-(2-amino-6-oxo-1H-purin-9-yl)-3-[[5-(2-amino-6-oxo-1H-purin-9-yl)-3-[[5-(2-amino-6-oxo-1H-purin-9-yl)-3-[[5-(2-amino-6-oxo-1H-purin-9-yl)-3-[[5-(4-amino-2-oxopyrimidin-1-yl)-3-[[5-(6-aminopurin-9-yl)-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphinothioyl]oxyoxolan-2-yl]methoxy-hydroxyphosphinothioyl]oxyoxolan-2-yl]methoxy-hydroxyphosphinothioyl]oxyoxolan-2-yl]methoxy-hydroxyphosphinothioyl]oxyoxolan-2-yl]methoxy-hydroxyphosphinothioyl]oxyoxolan-2-yl]methoxy-hydroxyphosphinothioyl]oxyoxolan-2-yl]methoxy-hydroxyphosphinothioyl]oxy-5-(6-aminopurin-9-yl)oxolan-2-yl]methyl dihydrogen phosphate
CID 22836094
[3-[[3-[[5-(2-amino-6-oxo-1H-purin-9-yl)-3-[[3-[[5-(2-amino-6-oxo-1H-purin-9-yl)-3-[[5-(6-aminopurin-9-yl)-3-[[5-(6-aminopurin-9-yl)-3-[[5-(6-aminopurin-9-yl)-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphinothioyl]oxyoxolan-2-yl]methoxy-hydroxyphosphinothioyl]oxyoxolan-2-yl]methoxy-hydroxyphosphinothioyl]oxyoxolan-2-yl]methoxy-hydroxyphosphinothioyl]oxy-5-(6-aminopurin-9-yl)oxolan-2-yl]methoxy-hydroxyphosphinothioyl]oxyoxolan-2-yl]methoxy-hydroxyphosphinothioyl]oxy-5-(6-aminopurin-9-yl)oxolan-2-yl]methoxy-hydroxyphosphinothioyl]oxy-5-(6-aminopurin-9-yl)oxolan-2-yl]methyl dihydrogen phosphate
CID 22836101
N-[3-[[(2S,3R,5R)-3-[[[(2S,3R,5R)-3-[[[(2S,3R,5R)-3-[[[(2S,3R,5R)-3-[[[(2S,3R,5R)-3-[[[(2S,3R,5R)-3-[[[(2S,3R,5R)-3-[[[(2S,3R,5R)-3-[[[(2S,3R,5R)-3-[[[(2S,3R,5R)-3-[[[(2S,3R,5R)-3-[[[(2S,3R,5R)-3-[[[(2S,3R,5R)-3-amino-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)oxolan-2-yl]methoxy-hydroxyphosphinothioyl]amino]-5-(6-aminopurin-9-yl)oxolan-2-yl]methoxy-hydroxyphosphinothioyl]amino]-5-(4-amino-2-oxopyrimidin-1-yl)oxolan-2-yl]methoxy-hydroxyphosphinothioyl]amino]-5-(6-aminopurin-9-yl)oxolan-2-yl]methoxy-hydroxyphosphinothioyl]amino]-5-(2-amino-6-oxo-1H-purin-9-yl)oxolan-2-yl]methoxy-hydroxyphosphinothioyl]amino]-5-(6-aminopurin-9-yl)oxolan-2-yl]methoxy-hydroxyphosphinothioyl]amino]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-hydroxyphosphinothioyl]amino]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-hydroxyphosphinothioyl]amino]-5-(2-amino-6-oxo-1H-purin-9-yl)oxolan-2-yl]methoxy-hydroxyphosphinothioyl]amino]-5-(2-amino-6-oxo-1H-purin-9-yl)oxolan-2-yl]methoxy-hydroxyphosphinothioyl]amino]-5-(2-amino-6-oxo-1H-purin-9-yl)oxolan-2-yl]methoxy-hydroxyphosphinothioyl]amino]-5-(6-aminopurin-9-yl)oxolan-2-yl]methoxy-hydroxyphosphinothioyl]amino]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-hydroxyphosphinothioyl]oxy-2-hydroxypropyl]hexadecanamide
CID 162016351
methyl-[6-[[6-oxo-6-[5-[2-[4-[4-(sulfanylmethyl)phenoxy]carbonylphenoxy]ethyl]-3,4,5,13-tetrazatetracyclo[13.4.0.02,6.07,12]nonadeca-1(19),2(6),3,7,9,11,15,17-octaen-13-yl]hexanoyl]amino]hexoxy]phosphinous acid
CID 166730700
2-amino-9-[(2R,4R,5R)-5-[[[(2R,3R,5R)-2-[[[(2R,3R,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-2-[[[(2R,3R,5R)-2-[[[(2R,3R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-2-[[[(2R,3R,5R)-5-(6-aminopurin-9-yl)-2-ethyloxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]oxolan-3-yl]oxy-sulfanylphosphoryl]oxymethyl]-5-(6-aminopurin-9-yl)oxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]oxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]-5-(4-amino-2-oxopyrimidin-1-yl)oxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]-4-[hydroxy(methoxy)phosphinothioyl]oxyoxolan-2-yl]-1H-purin-6-one
CID 177296452
[(2R,3S,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-2-[[[(2R,3S,5R)-2-[[[(2R,3S,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-2-[[[(2R,3S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-2-[[[(2R,3S,5R)-2-[[[(2R,3S,5R)-2-[[[(2R,3S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-2-[[hydroxy-[6-[3-oxo-3-[3-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypropylamino]propyl]sulfanylhexoxy]phosphoryl]oxymethyl]oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]-5-(6-aminopurin-9-yl)oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]oxolan-3-yl] [(2R,3S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3-[hydroxy-[[(2R,3S,5R)-3-[hydroxy-[[(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphoryl]oxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphoryl]oxyoxolan-2-yl]methyl hydrogen phosphate
CID 71605798
[(2R,3S,5R)-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-[[(2R,3S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3-[[(2R,3S,5R)-5-(6-aminopurin-9-yl)-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-5-(4-amino-2-oxopyrimidin-1-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl]oxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl 3-[[4-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]benzoyl]amino]propyl hydrogen phosphate
CID 177463872
2-amino-9-[(2R,5R)-4-[[(2R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3-[[(2R,5R)-3-[[(2R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphinothioyl]oxy-5-(6-aminopurin-9-yl)oxolan-2-yl]methoxy-hydroxyphosphinothioyl]oxyoxolan-2-yl]methoxy-hydroxyphosphinothioyl]oxy-5-(hydroxymethyl)oxolan-2-yl]-1H-purin-6-one
CID 135989983
[(2R,3S,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-2-(phosphonooxymethyl)oxolan-3-yl] [(2R,3S,5R)-3-[[(2R,3S,5R)-3-[[(2R,3S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-5-(6-aminopurin-9-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-5-(6-aminopurin-9-yl)oxolan-2-yl]methyl hydrogen phosphate
CID 135566530

Frequently Asked Questions

What is the IUPAC name of [[2-[[amino-[[4-[4-[2-[[11-amino-5-[6-oxo-6-(6-thiophosphorosooxyhexylamino)hexanoyl]-6H-benzo[c][1]benzazocin-12-yl]amino]ethoxy]benzoyl]oxyphenyl]methylsulfanyl]phosphoryl]oxymethyl]-5-(2-amino-6-oxo-1H-purin-9-yl)oxolan-3-yl]amino]-[[5-(6-aminopurin-9-yl)-3-methyloxolan-2-yl]methoxy]-oxophosphanium?
The IUPAC name of [[2-[[amino-[[4-[4-[2-[[11-amino-5-[6-oxo-6-(6-thiophosphorosooxyhexylamino)hexanoyl]-6H-benzo[c][1]benzazocin-12-yl]amino]ethoxy]benzoyl]oxyphenyl]methylsulfanyl]phosphoryl]oxymethyl]-5-(2-amino-6-oxo-1H-purin-9-yl)oxolan-3-yl]amino]-[[5-(6-aminopurin-9-yl)-3-methyloxolan-2-yl]methoxy]-oxophosphanium (CID 163491743) is [[2-[[amino-[[4-[4-[2-[[11-amino-5-[6-oxo-6-(6-thiophosphorosooxyhexylamino)hexanoyl]-6H-benzo[c][1]benzazocin-12-yl]amino]ethoxy]benzoyl]oxyphenyl]methylsulfanyl]phosphoryl]oxymethyl]-5-(2-amino-6-oxo-1H-purin-9-yl)oxolan-3-yl]amino]-[[5-(6-aminopurin-9-yl)-3-methyloxolan-2-yl]methoxy]-oxophosphanium.
What is the SMILES notation for [[2-[[amino-[[4-[4-[2-[[11-amino-5-[6-oxo-6-(6-thiophosphorosooxyhexylamino)hexanoyl]-6H-benzo[c][1]benzazocin-12-yl]amino]ethoxy]benzoyl]oxyphenyl]methylsulfanyl]phosphoryl]oxymethyl]-5-(2-amino-6-oxo-1H-purin-9-yl)oxolan-3-yl]amino]-[[5-(6-aminopurin-9-yl)-3-methyloxolan-2-yl]methoxy]-oxophosphanium?
The canonical SMILES for [[2-[[amino-[[4-[4-[2-[[11-amino-5-[6-oxo-6-(6-thiophosphorosooxyhexylamino)hexanoyl]-6H-benzo[c][1]benzazocin-12-yl]amino]ethoxy]benzoyl]oxyphenyl]methylsulfanyl]phosphoryl]oxymethyl]-5-(2-amino-6-oxo-1H-purin-9-yl)oxolan-3-yl]amino]-[[5-(6-aminopurin-9-yl)-3-methyloxolan-2-yl]methoxy]-oxophosphanium is CC1CC(n2cnc3c(N)ncnc32)OC1CO[P+](=O)NC1CC(n2cnc3c(=O)[nH]c(N)nc32)OC1COP(N)(=O)SCc1ccc(OC(=O)c2ccc(OCCNC3=C(N)c4ccccc4CN(C(=O)CCCCC(=O)NCCCCCCOP=S)c4ccccc43)cc2)cc1.
What is the InChIKey of [[2-[[amino-[[4-[4-[2-[[11-amino-5-[6-oxo-6-(6-thiophosphorosooxyhexylamino)hexanoyl]-6H-benzo[c][1]benzazocin-12-yl]amino]ethoxy]benzoyl]oxyphenyl]methylsulfanyl]phosphoryl]oxymethyl]-5-(2-amino-6-oxo-1H-purin-9-yl)oxolan-3-yl]amino]-[[5-(6-aminopurin-9-yl)-3-methyloxolan-2-yl]methoxy]-oxophosphanium?
The InChIKey is LOETVXREEASECU-UHFFFAOYSA-O. The full InChI is InChI=1S/C64H75N16O13P3S2/c1-39-30-53(79-37-73-57-59(66)71-36-72-60(57)79)92-49(39)33-89-95(85)77-47-31-54(80-38-74-58-61(80)75-64(67)76-62(58)83)93-50(47)34-90-96(68,86)98-35-40-18-22-44(23-19-40)91-63(84)41-20-24-43(25-21-41)87-29-27-70-56-46-14-6-7-15-48(46)78(32-42-12-4-5-13-45(42)55(56)65)52(82)17-9-8-16-51(81)69-26-10-2-3-11-28-88-94-97/h4-7,12-15,18-25,36-39,47,49-50,53-54,70H,2-3,8-11,16-17,26-35,65H2,1H3,(H8-,66,67,68,69,71,72,75,76,77,81,83,85,86)/p+1.
What are the key properties of [[2-[[amino-[[4-[4-[2-[[11-amino-5-[6-oxo-6-(6-thiophosphorosooxyhexylamino)hexanoyl]-6H-benzo[c][1]benzazocin-12-yl]amino]ethoxy]benzoyl]oxyphenyl]methylsulfanyl]phosphoryl]oxymethyl]-5-(2-amino-6-oxo-1H-purin-9-yl)oxolan-3-yl]amino]-[[5-(6-aminopurin-9-yl)-3-methyloxolan-2-yl]methoxy]-oxophosphanium?
[[2-[[amino-[[4-[4-[2-[[11-amino-5-[6-oxo-6-(6-thiophosphorosooxyhexylamino)hexanoyl]-6H-benzo[c][1]benzazocin-12-yl]amino]ethoxy]benzoyl]oxyphenyl]methylsulfanyl]phosphoryl]oxymethyl]-5-(2-amino-6-oxo-1H-purin-9-yl)oxolan-3-yl]amino]-[[5-(6-aminopurin-9-yl)-3-methyloxolan-2-yl]methoxy]-oxophosphanium has a molecular weight of 1434.47 g/mol, XLogP of 9.08, 33 rotatable bonds, 8 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for [[2-[[amino-[[4-[4-[2-[[11-amino-5-[6-oxo-6-(6-thiophosphorosooxyhexylamino)hexanoyl]-6H-benzo[c][1]benzazocin-12-yl]amino]ethoxy]benzoyl]oxyphenyl]methylsulfanyl]phosphoryl]oxymethyl]-5-(2-amino-6-oxo-1H-purin-9-yl)oxolan-3-yl]amino]-[[5-(6-aminopurin-9-yl)-3-methyloxolan-2-yl]methoxy]-oxophosphanium is sourced from PubChem (CID 163491743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).