N-[(Z)-3-amino-3-iminoprop-1-enyl]-N-[4-[[3-[[[6-(2-amino-6-oxo-1H-purin-9-yl)-4-methylmorpholin-2-yl]methoxy-(dimethylamino)phosphoryl]amino]-2-[1-(5-methyl-2,4-dioxopyrimidin-1-yl)propoxy]propoxy]-(methylamino)phosphoryl]-6-[[[2-[[[[3-[[2-[[[2-[[[2-(4-amino-2-oxopyrimidin-1-yl)-6-[[dimethylamino-[[3-[dimethylamino(propan-2-yl)phosphoryl]oxy-2-[1-(4-methyl-2-oxopyrimidin-1-yl)propoxy]propyl]amino]phosphoryl]oxymethyl]morpholin-4-yl]-(methylamino)phosphoryl]oxymethyl]-6-methylmorpholin-4-yl]-(methylamino)phosphoryl]oxymethyl]-6-methylmorpholin-4-yl]-(dimethylamino)phosphoryl]oxy-2-[1-(5-methyl-2,4-dioxopyrimidin-1-yl)propoxy]propyl]amino]-(dimethylamino)phosphoryl]oxymethyl]-6-(5-methyl-2,4-dioxopyrimidin-1-yl)morpholin-4-yl]-(dimethylamino)phosphoryl]oxymethyl]morpholin-2-yl]acetamide

C103H184N37O37P9 — CID 139527224

IUPACN-[(Z)-3-amino-3-iminoprop-1-enyl]-N-[4-[[3-[[[6-(2-amino-6-oxo-1H-purin-9-yl)-4-methylmorpholin-2-yl]methoxy-(dimethylamino)phosphoryl]amino]-2-[1-(5-methyl-2,4-dioxopyrimidin-1-yl)propoxy]propoxy]-(methylamino)phosphoryl]-6-[[[2-[[[[3-[[2-[[[2-[[[2-(4-amino-2-oxopyrimidin-1-yl)-6-[[dimethylamino-[[3-[dimethylamino(propan-2-yl)phosphoryl]oxy-2-[1-(4-methyl-2-oxopyrimidin-1-yl)propoxy]propyl]amino]phosphoryl]oxymethyl]morpholin-4-yl]-(methylamino)phosphoryl]oxymethyl]-6-methylmorpholin-4-yl]-(methylamino)phosphoryl]oxymethyl]-6-methylmorpholin-4-yl]-(dimethylamino)phosphoryl]oxy-2-[1-(5-methyl-2,4-dioxopyrimidin-1-yl)propoxy]propyl]amino]-(dimethylamino)phosphoryl]oxymethyl]-6-(5-methyl-2,4-dioxopyrimidin-1-yl)morpholin-4-yl]-(dimethylamino)phosphoryl]oxymethyl]morpholin-2-yl]acetamide
SMILES[H]/N=C(N)/C=C\N(C(C)=O)C1CN(P(=O)(NC)OCC(CNP(=O)(OCC2CN(C)CC(n3cnc4c(=O)[nH]c(N)nc43)O2)N(C)C)OC(CC)n2cc(C)c(=O)[nH]c2=O)CC(COP(=O)(N(C)C)N2CC(COP(=O)(NCC(COP(=O)(N(C)C)N3CC(C)OC(COP(=O)(NC)N4CC(C)OC(COP(=O)(NC)N5CC(COP(=O)(NCC(COP(=O)(C(C)C)N(C)C)OC(CC)n6ccc(C)nc6=O)N(C)C)OC(n6ccc(N)nc6=O)C5)C4)C3)OC(CC)n3cc(C)c(=O)[nH]c3=O)N(C)C)OC(n3cc(C)c(=O)[nH]c3=O)C2)O1
InChIInChI=1S/C103H184N37O37P9/c1-29-85(135-35-32-70(9)115-99(135)146)171-74(56-160-178(151,66(4)5)122(16)17)38-112-183(156,124(20)21)165-62-80-48-131(54-90(176-80)136-37-34-84(106)116-100(136)147)181(154,110-15)163-60-78-47-129(44-71(10)169-78)179(152,108-13)162-61-79-50-132(45-72(11)170-79)185(158,126(24)25)167-58-76(173-87(31-3)138-42-68(7)95(143)120-102(138)149)40-114-184(157,125(22)23)166-63-82-51-133(55-91(177-82)139-43-69(8)96(144)121-103(139)150)186(159,127(26)27)168-64-81-49-130(53-89(175-81)134(73(12)141)36-33-83(104)105)180(153,109-14)161-57-75(172-86(30-2)137-41-67(6)94(142)119-101(137)148)39-113-182(155,123(18)19)164-59-77-46-128(28)52-88(174-77)140-65-111-92-93(140)117-98(107)118-97(92)145/h32-37,41-43,65-66,71-72,74-82,85-91H,29-31,38-40,44-64H2,1-28H3,(H3,104,105)(H,108,152)(H,109,153)(H,110,154)(H,112,156)(H,113,155)(H,114,157)(H2,106,116,147)(H,119,142,148)(H,120,143,149)(H,121,144,150)(H3,107,117,118,145)/b36-33-
InChIKeyCDQNKQYXHLXJKG-NECWGFRUSA-N
MW2811.59 g/mol
LogP2.71
Rot. Bonds69

About N-[(Z)-3-amino-3-iminoprop-1-enyl]-N-[4-[[3-[[[6-(2-amino-6-oxo-1H-purin-9-yl)-4-methylmorpholin-2-yl]methoxy-(dimethylamino)phosphoryl]amino]-2-[1-(5-methyl-2,4-dioxopyrimidin-1-yl)propoxy]propoxy]-(methylamino)phosphoryl]-6-[[[2-[[[[3-[[2-[[[2-[[[2-(4-amino-2-oxopyrimidin-1-yl)-6-[[dimethylamino-[[3-[dimethylamino(propan-2-yl)phosphoryl]oxy-2-[1-(4-methyl-2-oxopyrimidin-1-yl)propoxy]propyl]amino]phosphoryl]oxymethyl]morpholin-4-yl]-(methylamino)phosphoryl]oxymethyl]-6-methylmorpholin-4-yl]-(methylamino)phosphoryl]oxymethyl]-6-methylmorpholin-4-yl]-(dimethylamino)phosphoryl]oxy-2-[1-(5-methyl-2,4-dioxopyrimidin-1-yl)propoxy]propyl]amino]-(dimethylamino)phosphoryl]oxymethyl]-6-(5-methyl-2,4-dioxopyrimidin-1-yl)morpholin-4-yl]-(dimethylamino)phosphoryl]oxymethyl]morpholin-2-yl]acetamide

N-[(Z)-3-amino-3-iminoprop-1-enyl]-N-[4-[[3-[[[6-(2-amino-6-oxo-1H-purin-9-yl)-4-methylmorpholin-2-yl]methoxy-(dimethylamino)phosphoryl]amino]-2-[1-(5-methyl-2,4-dioxopyrimidin-1-yl)propoxy]propoxy]-(methylamino)phosphoryl]-6-[[[2-[[[[3-[[2-[[[2-[[[2-(4-amino-2-oxopyrimidin-1-yl)-6-[[dimethylamino-[[3-[dimethylamino(propan-2-yl)phosphoryl]oxy-2-[1-(4-methyl-2-oxopyrimidin-1-yl)propoxy]propyl]amino]phosphoryl]oxymethyl]morpholin-4-yl]-(methylamino)phosphoryl]oxymethyl]-6-methylmorpholin-4-yl]-(methylamino)phosphoryl]oxymethyl]-6-methylmorpholin-4-yl]-(dimethylamino)phosphoryl]oxy-2-[1-(5-methyl-2,4-dioxopyrimidin-1-yl)propoxy]propyl]amino]-(dimethylamino)phosphoryl]oxymethyl]-6-(5-methyl-2,4-dioxopyrimidin-1-yl)morpholin-4-yl]-(dimethylamino)phosphoryl]oxymethyl]morpholin-2-yl]acetamide (PubChem CID 139527224) has the molecular formula C103H184N37O37P9 and a molecular weight of 2811.59 g/mol. Its IUPAC name is N-[(Z)-3-amino-3-iminoprop-1-enyl]-N-[4-[[3-[[[6-(2-amino-6-oxo-1H-purin-9-yl)-4-methylmorpholin-2-yl]methoxy-(dimethylamino)phosphoryl]amino]-2-[1-(5-methyl-2,4-dioxopyrimidin-1-yl)propoxy]propoxy]-(methylamino)phosphoryl]-6-[[[2-[[[[3-[[2-[[[2-[[[2-(4-amino-2-oxopyrimidin-1-yl)-6-[[dimethylamino-[[3-[dimethylamino(propan-2-yl)phosphoryl]oxy-2-[1-(4-methyl-2-oxopyrimidin-1-yl)propoxy]propyl]amino]phosphoryl]oxymethyl]morpholin-4-yl]-(methylamino)phosphoryl]oxymethyl]-6-methylmorpholin-4-yl]-(methylamino)phosphoryl]oxymethyl]-6-methylmorpholin-4-yl]-(dimethylamino)phosphoryl]oxy-2-[1-(5-methyl-2,4-dioxopyrimidin-1-yl)propoxy]propyl]amino]-(dimethylamino)phosphoryl]oxymethyl]-6-(5-methyl-2,4-dioxopyrimidin-1-yl)morpholin-4-yl]-(dimethylamino)phosphoryl]oxymethyl]morpholin-2-yl]acetamide.

Molecular Properties

Compound NameN-[(Z)-3-amino-3-iminoprop-1-enyl]-N-[4-[[3-[[[6-(2-amino-6-oxo-1H-purin-9-yl)-4-methylmorpholin-2-yl]methoxy-(dimethylamino)phosphoryl]amino]-2-[1-(5-methyl-2,4-dioxopyrimidin-1-yl)propoxy]propoxy]-(methylamino)phosphoryl]-6-[[[2-[[[[3-[[2-[[[2-[[[2-(4-amino-2-oxopyrimidin-1-yl)-6-[[dimethylamino-[[3-[dimethylamino(propan-2-yl)phosphoryl]oxy-2-[1-(4-methyl-2-oxopyrimidin-1-yl)propoxy]propyl]amino]phosphoryl]oxymethyl]morpholin-4-yl]-(methylamino)phosphoryl]oxymethyl]-6-methylmorpholin-4-yl]-(methylamino)phosphoryl]oxymethyl]-6-methylmorpholin-4-yl]-(dimethylamino)phosphoryl]oxy-2-[1-(5-methyl-2,4-dioxopyrimidin-1-yl)propoxy]propyl]amino]-(dimethylamino)phosphoryl]oxymethyl]-6-(5-methyl-2,4-dioxopyrimidin-1-yl)morpholin-4-yl]-(dimethylamino)phosphoryl]oxymethyl]morpholin-2-yl]acetamide
PubChem CID139527224
Molecular FormulaC103H184N37O37P9
Molecular Weight2811.59 g/mol
Exact Mass2810.13
IUPAC NameN-[(Z)-3-amino-3-iminoprop-1-enyl]-N-[4-[[3-[[[6-(2-amino-6-oxo-1H-purin-9-yl)-4-methylmorpholin-2-yl]methoxy-(dimethylamino)phosphoryl]amino]-2-[1-(5-methyl-2,4-dioxopyrimidin-1-yl)propoxy]propoxy]-(methylamino)phosphoryl]-6-[[[2-[[[[3-[[2-[[[2-[[[2-(4-amino-2-oxopyrimidin-1-yl)-6-[[dimethylamino-[[3-[dimethylamino(propan-2-yl)phosphoryl]oxy-2-[1-(4-methyl-2-oxopyrimidin-1-yl)propoxy]propyl]amino]phosphoryl]oxymethyl]morpholin-4-yl]-(methylamino)phosphoryl]oxymethyl]-6-methylmorpholin-4-yl]-(methylamino)phosphoryl]oxymethyl]-6-methylmorpholin-4-yl]-(dimethylamino)phosphoryl]oxy-2-[1-(5-methyl-2,4-dioxopyrimidin-1-yl)propoxy]propyl]amino]-(dimethylamino)phosphoryl]oxymethyl]-6-(5-methyl-2,4-dioxopyrimidin-1-yl)morpholin-4-yl]-(dimethylamino)phosphoryl]oxymethyl]morpholin-2-yl]acetamide
SMILES[H]/N=C(N)/C=C\N(C(C)=O)C1CN(P(=O)(NC)OCC(CNP(=O)(OCC2CN(C)CC(n3cnc4c(=O)[nH]c(N)nc43)O2)N(C)C)OC(CC)n2cc(C)c(=O)[nH]c2=O)CC(COP(=O)(N(C)C)N2CC(COP(=O)(NCC(COP(=O)(N(C)C)N3CC(C)OC(COP(=O)(NC)N4CC(C)OC(COP(=O)(NC)N5CC(COP(=O)(NCC(COP(=O)(C(C)C)N(C)C)OC(CC)n6ccc(C)nc6=O)N(C)C)OC(n6ccc(N)nc6=O)C5)C4)C3)OC(CC)n3cc(C)c(=O)[nH]c3=O)N(C)C)OC(n3cc(C)c(=O)[nH]c3=O)C2)O1
InChIInChI=1S/C103H184N37O37P9/c1-29-85(135-35-32-70(9)115-99(135)146)171-74(56-160-178(151,66(4)5)122(16)17)38-112-183(156,124(20)21)165-62-80-48-131(54-90(176-80)136-37-34-84(106)116-100(136)147)181(154,110-15)163-60-78-47-129(44-71(10)169-78)179(152,108-13)162-61-79-50-132(45-72(11)170-79)185(158,126(24)25)167-58-76(173-87(31-3)138-42-68(7)95(143)120-102(138)149)40-114-184(157,125(22)23)166-63-82-51-133(55-91(177-82)139-43-69(8)96(144)121-103(139)150)186(159,127(26)27)168-64-81-49-130(53-89(175-81)134(73(12)141)36-33-83(104)105)180(153,109-14)161-57-75(172-86(30-2)137-41-67(6)94(142)119-101(137)148)39-113-182(155,123(18)19)164-59-77-46-128(28)52-88(174-77)140-65-111-92-93(140)117-98(107)118-97(92)145/h32-37,41-43,65-66,71-72,74-82,85-91H,29-31,38-40,44-64H2,1-28H3,(H3,104,105)(H,108,152)(H,109,153)(H,110,154)(H,112,156)(H,113,155)(H,114,157)(H2,106,116,147)(H,119,142,148)(H,120,143,149)(H,121,144,150)(H3,107,117,118,145)/b36-33-
InChIKeyCDQNKQYXHLXJKG-NECWGFRUSA-N
XLogP2.71
TPSA850.98 Ų
H-Bond Donors14
H-Bond Acceptors51
Rotatable Bonds69
Heavy Atoms186
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002811.59
LogP ≤ 52.71
H-Bond Donors ≤ 514
H-Bond Acceptors ≤ 1051

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

Analyze N-[(Z)-3-amino-3-iminoprop-1-enyl]-N-[4-[[3-[[[6-(2-amino-6-oxo-1H-purin-9-yl)-4-methylmorpholin-2-yl]methoxy-(dimethylamino)phosphoryl]amino]-2-[1-(5-methyl-2,4-dioxopyrimidin-1-yl)propoxy]propoxy]-(methylamino)phosphoryl]-6-[[[2-[[[[3-[[2-[[[2-[[[2-(4-amino-2-oxopyrimidin-1-yl)-6-[[dimethylamino-[[3-[dimethylamino(propan-2-yl)phosphoryl]oxy-2-[1-(4-methyl-2-oxopyrimidin-1-yl)propoxy]propyl]amino]phosphoryl]oxymethyl]morpholin-4-yl]-(methylamino)phosphoryl]oxymethyl]-6-methylmorpholin-4-yl]-(methylamino)phosphoryl]oxymethyl]-6-methylmorpholin-4-yl]-(dimethylamino)phosphoryl]oxy-2-[1-(5-methyl-2,4-dioxopyrimidin-1-yl)propoxy]propyl]amino]-(dimethylamino)phosphoryl]oxymethyl]-6-(5-methyl-2,4-dioxopyrimidin-1-yl)morpholin-4-yl]-(dimethylamino)phosphoryl]oxymethyl]morpholin-2-yl]acetamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[(Z)-3-amino-3-iminoprop-1-enyl]-N-[4-[[3-[[[6-(2-amino-6-oxo-1H-purin-9-yl)-4-methylmorpholin-2-yl]methoxy-(dimethylamino)phosphoryl]amino]-2-[1-(5-methyl-2,4-dioxopyrimidin-1-yl)propoxy]propoxy]-(methylamino)phosphoryl]-6-[[[2-[[[[3-[[2-[[[2-[[[2-(4-amino-2-oxopyrimidin-1-yl)-6-[[dimethylamino-[[3-[dimethylamino(propan-2-yl)phosphoryl]oxy-2-[1-(4-methyl-2-oxopyrimidin-1-yl)propoxy]propyl]amino]phosphoryl]oxymethyl]morpholin-4-yl]-(methylamino)phosphoryl]oxymethyl]-6-methylmorpholin-4-yl]-(methylamino)phosphoryl]oxymethyl]-6-methylmorpholin-4-yl]-(dimethylamino)phosphoryl]oxy-2-[1-(5-methyl-2,4-dioxopyrimidin-1-yl)propoxy]propyl]amino]-(dimethylamino)phosphoryl]oxymethyl]-6-(5-methyl-2,4-dioxopyrimidin-1-yl)morpholin-4-yl]-(dimethylamino)phosphoryl]oxymethyl]morpholin-2-yl]acetamide?
The IUPAC name of N-[(Z)-3-amino-3-iminoprop-1-enyl]-N-[4-[[3-[[[6-(2-amino-6-oxo-1H-purin-9-yl)-4-methylmorpholin-2-yl]methoxy-(dimethylamino)phosphoryl]amino]-2-[1-(5-methyl-2,4-dioxopyrimidin-1-yl)propoxy]propoxy]-(methylamino)phosphoryl]-6-[[[2-[[[[3-[[2-[[[2-[[[2-(4-amino-2-oxopyrimidin-1-yl)-6-[[dimethylamino-[[3-[dimethylamino(propan-2-yl)phosphoryl]oxy-2-[1-(4-methyl-2-oxopyrimidin-1-yl)propoxy]propyl]amino]phosphoryl]oxymethyl]morpholin-4-yl]-(methylamino)phosphoryl]oxymethyl]-6-methylmorpholin-4-yl]-(methylamino)phosphoryl]oxymethyl]-6-methylmorpholin-4-yl]-(dimethylamino)phosphoryl]oxy-2-[1-(5-methyl-2,4-dioxopyrimidin-1-yl)propoxy]propyl]amino]-(dimethylamino)phosphoryl]oxymethyl]-6-(5-methyl-2,4-dioxopyrimidin-1-yl)morpholin-4-yl]-(dimethylamino)phosphoryl]oxymethyl]morpholin-2-yl]acetamide (CID 139527224) is N-[(Z)-3-amino-3-iminoprop-1-enyl]-N-[4-[[3-[[[6-(2-amino-6-oxo-1H-purin-9-yl)-4-methylmorpholin-2-yl]methoxy-(dimethylamino)phosphoryl]amino]-2-[1-(5-methyl-2,4-dioxopyrimidin-1-yl)propoxy]propoxy]-(methylamino)phosphoryl]-6-[[[2-[[[[3-[[2-[[[2-[[[2-(4-amino-2-oxopyrimidin-1-yl)-6-[[dimethylamino-[[3-[dimethylamino(propan-2-yl)phosphoryl]oxy-2-[1-(4-methyl-2-oxopyrimidin-1-yl)propoxy]propyl]amino]phosphoryl]oxymethyl]morpholin-4-yl]-(methylamino)phosphoryl]oxymethyl]-6-methylmorpholin-4-yl]-(methylamino)phosphoryl]oxymethyl]-6-methylmorpholin-4-yl]-(dimethylamino)phosphoryl]oxy-2-[1-(5-methyl-2,4-dioxopyrimidin-1-yl)propoxy]propyl]amino]-(dimethylamino)phosphoryl]oxymethyl]-6-(5-methyl-2,4-dioxopyrimidin-1-yl)morpholin-4-yl]-(dimethylamino)phosphoryl]oxymethyl]morpholin-2-yl]acetamide.
What is the SMILES notation for N-[(Z)-3-amino-3-iminoprop-1-enyl]-N-[4-[[3-[[[6-(2-amino-6-oxo-1H-purin-9-yl)-4-methylmorpholin-2-yl]methoxy-(dimethylamino)phosphoryl]amino]-2-[1-(5-methyl-2,4-dioxopyrimidin-1-yl)propoxy]propoxy]-(methylamino)phosphoryl]-6-[[[2-[[[[3-[[2-[[[2-[[[2-(4-amino-2-oxopyrimidin-1-yl)-6-[[dimethylamino-[[3-[dimethylamino(propan-2-yl)phosphoryl]oxy-2-[1-(4-methyl-2-oxopyrimidin-1-yl)propoxy]propyl]amino]phosphoryl]oxymethyl]morpholin-4-yl]-(methylamino)phosphoryl]oxymethyl]-6-methylmorpholin-4-yl]-(methylamino)phosphoryl]oxymethyl]-6-methylmorpholin-4-yl]-(dimethylamino)phosphoryl]oxy-2-[1-(5-methyl-2,4-dioxopyrimidin-1-yl)propoxy]propyl]amino]-(dimethylamino)phosphoryl]oxymethyl]-6-(5-methyl-2,4-dioxopyrimidin-1-yl)morpholin-4-yl]-(dimethylamino)phosphoryl]oxymethyl]morpholin-2-yl]acetamide?
The canonical SMILES for N-[(Z)-3-amino-3-iminoprop-1-enyl]-N-[4-[[3-[[[6-(2-amino-6-oxo-1H-purin-9-yl)-4-methylmorpholin-2-yl]methoxy-(dimethylamino)phosphoryl]amino]-2-[1-(5-methyl-2,4-dioxopyrimidin-1-yl)propoxy]propoxy]-(methylamino)phosphoryl]-6-[[[2-[[[[3-[[2-[[[2-[[[2-(4-amino-2-oxopyrimidin-1-yl)-6-[[dimethylamino-[[3-[dimethylamino(propan-2-yl)phosphoryl]oxy-2-[1-(4-methyl-2-oxopyrimidin-1-yl)propoxy]propyl]amino]phosphoryl]oxymethyl]morpholin-4-yl]-(methylamino)phosphoryl]oxymethyl]-6-methylmorpholin-4-yl]-(methylamino)phosphoryl]oxymethyl]-6-methylmorpholin-4-yl]-(dimethylamino)phosphoryl]oxy-2-[1-(5-methyl-2,4-dioxopyrimidin-1-yl)propoxy]propyl]amino]-(dimethylamino)phosphoryl]oxymethyl]-6-(5-methyl-2,4-dioxopyrimidin-1-yl)morpholin-4-yl]-(dimethylamino)phosphoryl]oxymethyl]morpholin-2-yl]acetamide is [H]/N=C(N)/C=C\N(C(C)=O)C1CN(P(=O)(NC)OCC(CNP(=O)(OCC2CN(C)CC(n3cnc4c(=O)[nH]c(N)nc43)O2)N(C)C)OC(CC)n2cc(C)c(=O)[nH]c2=O)CC(COP(=O)(N(C)C)N2CC(COP(=O)(NCC(COP(=O)(N(C)C)N3CC(C)OC(COP(=O)(NC)N4CC(C)OC(COP(=O)(NC)N5CC(COP(=O)(NCC(COP(=O)(C(C)C)N(C)C)OC(CC)n6ccc(C)nc6=O)N(C)C)OC(n6ccc(N)nc6=O)C5)C4)C3)OC(CC)n3cc(C)c(=O)[nH]c3=O)N(C)C)OC(n3cc(C)c(=O)[nH]c3=O)C2)O1.
What is the InChIKey of N-[(Z)-3-amino-3-iminoprop-1-enyl]-N-[4-[[3-[[[6-(2-amino-6-oxo-1H-purin-9-yl)-4-methylmorpholin-2-yl]methoxy-(dimethylamino)phosphoryl]amino]-2-[1-(5-methyl-2,4-dioxopyrimidin-1-yl)propoxy]propoxy]-(methylamino)phosphoryl]-6-[[[2-[[[[3-[[2-[[[2-[[[2-(4-amino-2-oxopyrimidin-1-yl)-6-[[dimethylamino-[[3-[dimethylamino(propan-2-yl)phosphoryl]oxy-2-[1-(4-methyl-2-oxopyrimidin-1-yl)propoxy]propyl]amino]phosphoryl]oxymethyl]morpholin-4-yl]-(methylamino)phosphoryl]oxymethyl]-6-methylmorpholin-4-yl]-(methylamino)phosphoryl]oxymethyl]-6-methylmorpholin-4-yl]-(dimethylamino)phosphoryl]oxy-2-[1-(5-methyl-2,4-dioxopyrimidin-1-yl)propoxy]propyl]amino]-(dimethylamino)phosphoryl]oxymethyl]-6-(5-methyl-2,4-dioxopyrimidin-1-yl)morpholin-4-yl]-(dimethylamino)phosphoryl]oxymethyl]morpholin-2-yl]acetamide?
The InChIKey is CDQNKQYXHLXJKG-NECWGFRUSA-N. The full InChI is InChI=1S/C103H184N37O37P9/c1-29-85(135-35-32-70(9)115-99(135)146)171-74(56-160-178(151,66(4)5)122(16)17)38-112-183(156,124(20)21)165-62-80-48-131(54-90(176-80)136-37-34-84(106)116-100(136)147)181(154,110-15)163-60-78-47-129(44-71(10)169-78)179(152,108-13)162-61-79-50-132(45-72(11)170-79)185(158,126(24)25)167-58-76(173-87(31-3)138-42-68(7)95(143)120-102(138)149)40-114-184(157,125(22)23)166-63-82-51-133(55-91(177-82)139-43-69(8)96(144)121-103(139)150)186(159,127(26)27)168-64-81-49-130(53-89(175-81)134(73(12)141)36-33-83(104)105)180(153,109-14)161-57-75(172-86(30-2)137-41-67(6)94(142)119-101(137)148)39-113-182(155,123(18)19)164-59-77-46-128(28)52-88(174-77)140-65-111-92-93(140)117-98(107)118-97(92)145/h32-37,41-43,65-66,71-72,74-82,85-91H,29-31,38-40,44-64H2,1-28H3,(H3,104,105)(H,108,152)(H,109,153)(H,110,154)(H,112,156)(H,113,155)(H,114,157)(H2,106,116,147)(H,119,142,148)(H,120,143,149)(H,121,144,150)(H3,107,117,118,145)/b36-33-.
What are the key properties of N-[(Z)-3-amino-3-iminoprop-1-enyl]-N-[4-[[3-[[[6-(2-amino-6-oxo-1H-purin-9-yl)-4-methylmorpholin-2-yl]methoxy-(dimethylamino)phosphoryl]amino]-2-[1-(5-methyl-2,4-dioxopyrimidin-1-yl)propoxy]propoxy]-(methylamino)phosphoryl]-6-[[[2-[[[[3-[[2-[[[2-[[[2-(4-amino-2-oxopyrimidin-1-yl)-6-[[dimethylamino-[[3-[dimethylamino(propan-2-yl)phosphoryl]oxy-2-[1-(4-methyl-2-oxopyrimidin-1-yl)propoxy]propyl]amino]phosphoryl]oxymethyl]morpholin-4-yl]-(methylamino)phosphoryl]oxymethyl]-6-methylmorpholin-4-yl]-(methylamino)phosphoryl]oxymethyl]-6-methylmorpholin-4-yl]-(dimethylamino)phosphoryl]oxy-2-[1-(5-methyl-2,4-dioxopyrimidin-1-yl)propoxy]propyl]amino]-(dimethylamino)phosphoryl]oxymethyl]-6-(5-methyl-2,4-dioxopyrimidin-1-yl)morpholin-4-yl]-(dimethylamino)phosphoryl]oxymethyl]morpholin-2-yl]acetamide?
N-[(Z)-3-amino-3-iminoprop-1-enyl]-N-[4-[[3-[[[6-(2-amino-6-oxo-1H-purin-9-yl)-4-methylmorpholin-2-yl]methoxy-(dimethylamino)phosphoryl]amino]-2-[1-(5-methyl-2,4-dioxopyrimidin-1-yl)propoxy]propoxy]-(methylamino)phosphoryl]-6-[[[2-[[[[3-[[2-[[[2-[[[2-(4-amino-2-oxopyrimidin-1-yl)-6-[[dimethylamino-[[3-[dimethylamino(propan-2-yl)phosphoryl]oxy-2-[1-(4-methyl-2-oxopyrimidin-1-yl)propoxy]propyl]amino]phosphoryl]oxymethyl]morpholin-4-yl]-(methylamino)phosphoryl]oxymethyl]-6-methylmorpholin-4-yl]-(methylamino)phosphoryl]oxymethyl]-6-methylmorpholin-4-yl]-(dimethylamino)phosphoryl]oxy-2-[1-(5-methyl-2,4-dioxopyrimidin-1-yl)propoxy]propyl]amino]-(dimethylamino)phosphoryl]oxymethyl]-6-(5-methyl-2,4-dioxopyrimidin-1-yl)morpholin-4-yl]-(dimethylamino)phosphoryl]oxymethyl]morpholin-2-yl]acetamide has a molecular weight of 2811.59 g/mol, XLogP of 2.71, 69 rotatable bonds, 14 hydrogen bond donors, and 51 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-3-amino-3-iminoprop-1-enyl]-N-[4-[[3-[[[6-(2-amino-6-oxo-1H-purin-9-yl)-4-methylmorpholin-2-yl]methoxy-(dimethylamino)phosphoryl]amino]-2-[1-(5-methyl-2,4-dioxopyrimidin-1-yl)propoxy]propoxy]-(methylamino)phosphoryl]-6-[[[2-[[[[3-[[2-[[[2-[[[2-(4-amino-2-oxopyrimidin-1-yl)-6-[[dimethylamino-[[3-[dimethylamino(propan-2-yl)phosphoryl]oxy-2-[1-(4-methyl-2-oxopyrimidin-1-yl)propoxy]propyl]amino]phosphoryl]oxymethyl]morpholin-4-yl]-(methylamino)phosphoryl]oxymethyl]-6-methylmorpholin-4-yl]-(methylamino)phosphoryl]oxymethyl]-6-methylmorpholin-4-yl]-(dimethylamino)phosphoryl]oxy-2-[1-(5-methyl-2,4-dioxopyrimidin-1-yl)propoxy]propyl]amino]-(dimethylamino)phosphoryl]oxymethyl]-6-(5-methyl-2,4-dioxopyrimidin-1-yl)morpholin-4-yl]-(dimethylamino)phosphoryl]oxymethyl]morpholin-2-yl]acetamide is sourced from PubChem (CID 139527224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).