diiodomethane;2-[2-(2-hydroxyethoxy)ethoxy]ethyl 4-[[(2S,6R)-6-(2-amino-6-oxo-1H-purin-9-yl)-4-[[(2S,6R)-4-[[(2S,6R)-4-[[(2S,6R)-6-(2-amino-6-oxo-1H-purin-9-yl)-4-[[(2S,6R)-6-(4-amino-2-oxopyrimidin-1-yl)-4-[[(2S,6R)-6-(4-amino-2-oxopyrimidin-1-yl)-4-[dimethylamino-[[(2S,6R)-4-methyl-6-(5-methyl-2,4-dioxopyrimidin-1-yl)morpholin-2-yl]methoxy]phosphoryl]morpholin-2-yl]methoxy-(dimethylamino)phosphoryl]morpholin-2-yl]methoxy-(dimethylamino)phosphoryl]morpholin-2-yl]methoxy-(dimethylamino)phosphoryl]-6-(5-methyl-2,4-dioxopyrimidin-1-yl)morpholin-2-yl]methoxy-(dimethylamino)phosphoryl]-6-(5-methyl-2,4-dioxopyrimidin-1-yl)morpholin-2-yl]methoxy-(dimethylamino)phosphoryl]morpholin-2-yl]methoxy-(dimethylamino)phosphoryl]piperazine-1-carboxylate

C95H155I2N38O36P7 — CID 167631809

IUPACdiiodomethane;2-[2-(2-hydroxyethoxy)ethoxy]ethyl 4-[[(2S,6R)-6-(2-amino-6-oxo-1H-purin-9-yl)-4-[[(2S,6R)-4-[[(2S,6R)-4-[[(2S,6R)-6-(2-amino-6-oxo-1H-purin-9-yl)-4-[[(2S,6R)-6-(4-amino-2-oxopyrimidin-1-yl)-4-[[(2S,6R)-6-(4-amino-2-oxopyrimidin-1-yl)-4-[dimethylamino-[[(2S,6R)-4-methyl-6-(5-methyl-2,4-dioxopyrimidin-1-yl)morpholin-2-yl]methoxy]phosphoryl]morpholin-2-yl]methoxy-(dimethylamino)phosphoryl]morpholin-2-yl]methoxy-(dimethylamino)phosphoryl]morpholin-2-yl]methoxy-(dimethylamino)phosphoryl]-6-(5-methyl-2,4-dioxopyrimidin-1-yl)morpholin-2-yl]methoxy-(dimethylamino)phosphoryl]-6-(5-methyl-2,4-dioxopyrimidin-1-yl)morpholin-2-yl]methoxy-(dimethylamino)phosphoryl]morpholin-2-yl]methoxy-(dimethylamino)phosphoryl]piperazine-1-carboxylate
SMILESCc1cn([C@H]2CN(C)C[C@@H](COP(=O)(N(C)C)N3C[C@@H](COP(=O)(N(C)C)N4C[C@@H](COP(=O)(N(C)C)N5C[C@@H](COP(=O)(N(C)C)N6C[C@@H](COP(=O)(N(C)C)N7C[C@@H](COP(=O)(N(C)C)N8C[C@@H](COP(=O)(N(C)C)N9CCN(C(=O)OCCOCCOCCO)CC9)O[C@@H](n9cnc%10c(=O)[nH]c(N)nc%109)C8)O[C@@H](n8cc(C)c(=O)[nH]c8=O)C7)O[C@@H](n7cc(C)c(=O)[nH]c7=O)C6)O[C@@H](n6cnc7c(=O)[nH]c(N)nc76)C5)O[C@@H](n5ccc(N)nc5=O)C4)O[C@@H](n4ccc(N)nc4=O)C3)O2)c(=O)[nH]c1=O.ICI
InChIInChI=1S/C94H153N38O36P7.CH2I2/c1-59-33-128(91(141)107-82(59)134)71-43-117(18)36-62(162-71)50-156-170(146,111(6)7)120-37-63(163-72(44-120)126-21-19-69(95)101-89(126)139)52-157-171(147,112(8)9)121-38-64(164-73(45-121)127-22-20-70(96)102-90(127)140)53-158-174(150,115(14)15)125-42-68(168-77(49-125)132-58-100-79-81(132)104-88(98)106-86(79)138)56-161-173(149,114(12)13)123-39-65(165-75(47-123)130-35-61(3)84(136)109-93(130)143)54-159-172(148,113(10)11)122-40-66(166-74(46-122)129-34-60(2)83(135)108-92(129)142)55-160-175(151,116(16)17)124-41-67(167-76(48-124)131-57-99-78-80(131)103-87(97)105-85(78)137)51-155-169(145,110(4)5)119-25-23-118(24-26-119)94(144)154-32-31-153-30-29-152-28-27-133;2-1-3/h19-22,33-35,57-58,62-68,71-77,133H,23-32,36-56H2,1-18H3,(H2,95,101,139)(H2,96,102,140)(H,107,134,141)(H,108,135,142)(H,109,136,143)(H3,97,103,105,137)(H3,98,104,106,138);1H2/t62-,63-,64-,65-,66-,67-,68-,71+,72+,73+,74+,75+,76+,77+,169?,170?,171?,172?,173?,174?,175?;/m0./s1
InChIKeyNXHNUBRUUNWQTP-CBQLFBRQSA-N
MW2876.14 g/mol
LogP-0.91
Rot. Bonds50

About diiodomethane;2-[2-(2-hydroxyethoxy)ethoxy]ethyl 4-[[(2S,6R)-6-(2-amino-6-oxo-1H-purin-9-yl)-4-[[(2S,6R)-4-[[(2S,6R)-4-[[(2S,6R)-6-(2-amino-6-oxo-1H-purin-9-yl)-4-[[(2S,6R)-6-(4-amino-2-oxopyrimidin-1-yl)-4-[[(2S,6R)-6-(4-amino-2-oxopyrimidin-1-yl)-4-[dimethylamino-[[(2S,6R)-4-methyl-6-(5-methyl-2,4-dioxopyrimidin-1-yl)morpholin-2-yl]methoxy]phosphoryl]morpholin-2-yl]methoxy-(dimethylamino)phosphoryl]morpholin-2-yl]methoxy-(dimethylamino)phosphoryl]morpholin-2-yl]methoxy-(dimethylamino)phosphoryl]-6-(5-methyl-2,4-dioxopyrimidin-1-yl)morpholin-2-yl]methoxy-(dimethylamino)phosphoryl]-6-(5-methyl-2,4-dioxopyrimidin-1-yl)morpholin-2-yl]methoxy-(dimethylamino)phosphoryl]morpholin-2-yl]methoxy-(dimethylamino)phosphoryl]piperazine-1-carboxylate

diiodomethane;2-[2-(2-hydroxyethoxy)ethoxy]ethyl 4-[[(2S,6R)-6-(2-amino-6-oxo-1H-purin-9-yl)-4-[[(2S,6R)-4-[[(2S,6R)-4-[[(2S,6R)-6-(2-amino-6-oxo-1H-purin-9-yl)-4-[[(2S,6R)-6-(4-amino-2-oxopyrimidin-1-yl)-4-[[(2S,6R)-6-(4-amino-2-oxopyrimidin-1-yl)-4-[dimethylamino-[[(2S,6R)-4-methyl-6-(5-methyl-2,4-dioxopyrimidin-1-yl)morpholin-2-yl]methoxy]phosphoryl]morpholin-2-yl]methoxy-(dimethylamino)phosphoryl]morpholin-2-yl]methoxy-(dimethylamino)phosphoryl]morpholin-2-yl]methoxy-(dimethylamino)phosphoryl]-6-(5-methyl-2,4-dioxopyrimidin-1-yl)morpholin-2-yl]methoxy-(dimethylamino)phosphoryl]-6-(5-methyl-2,4-dioxopyrimidin-1-yl)morpholin-2-yl]methoxy-(dimethylamino)phosphoryl]morpholin-2-yl]methoxy-(dimethylamino)phosphoryl]piperazine-1-carboxylate (PubChem CID 167631809) has the molecular formula C95H155I2N38O36P7 and a molecular weight of 2876.14 g/mol. Its IUPAC name is diiodomethane;2-[2-(2-hydroxyethoxy)ethoxy]ethyl 4-[[(2S,6R)-6-(2-amino-6-oxo-1H-purin-9-yl)-4-[[(2S,6R)-4-[[(2S,6R)-4-[[(2S,6R)-6-(2-amino-6-oxo-1H-purin-9-yl)-4-[[(2S,6R)-6-(4-amino-2-oxopyrimidin-1-yl)-4-[[(2S,6R)-6-(4-amino-2-oxopyrimidin-1-yl)-4-[dimethylamino-[[(2S,6R)-4-methyl-6-(5-methyl-2,4-dioxopyrimidin-1-yl)morpholin-2-yl]methoxy]phosphoryl]morpholin-2-yl]methoxy-(dimethylamino)phosphoryl]morpholin-2-yl]methoxy-(dimethylamino)phosphoryl]morpholin-2-yl]methoxy-(dimethylamino)phosphoryl]-6-(5-methyl-2,4-dioxopyrimidin-1-yl)morpholin-2-yl]methoxy-(dimethylamino)phosphoryl]-6-(5-methyl-2,4-dioxopyrimidin-1-yl)morpholin-2-yl]methoxy-(dimethylamino)phosphoryl]morpholin-2-yl]methoxy-(dimethylamino)phosphoryl]piperazine-1-carboxylate.

Molecular Properties

Compound Namediiodomethane;2-[2-(2-hydroxyethoxy)ethoxy]ethyl 4-[[(2S,6R)-6-(2-amino-6-oxo-1H-purin-9-yl)-4-[[(2S,6R)-4-[[(2S,6R)-4-[[(2S,6R)-6-(2-amino-6-oxo-1H-purin-9-yl)-4-[[(2S,6R)-6-(4-amino-2-oxopyrimidin-1-yl)-4-[[(2S,6R)-6-(4-amino-2-oxopyrimidin-1-yl)-4-[dimethylamino-[[(2S,6R)-4-methyl-6-(5-methyl-2,4-dioxopyrimidin-1-yl)morpholin-2-yl]methoxy]phosphoryl]morpholin-2-yl]methoxy-(dimethylamino)phosphoryl]morpholin-2-yl]methoxy-(dimethylamino)phosphoryl]morpholin-2-yl]methoxy-(dimethylamino)phosphoryl]-6-(5-methyl-2,4-dioxopyrimidin-1-yl)morpholin-2-yl]methoxy-(dimethylamino)phosphoryl]-6-(5-methyl-2,4-dioxopyrimidin-1-yl)morpholin-2-yl]methoxy-(dimethylamino)phosphoryl]morpholin-2-yl]methoxy-(dimethylamino)phosphoryl]piperazine-1-carboxylate
PubChem CID167631809
Molecular FormulaC95H155I2N38O36P7
Molecular Weight2876.14 g/mol
Exact Mass2874.77
IUPAC Namediiodomethane;2-[2-(2-hydroxyethoxy)ethoxy]ethyl 4-[[(2S,6R)-6-(2-amino-6-oxo-1H-purin-9-yl)-4-[[(2S,6R)-4-[[(2S,6R)-4-[[(2S,6R)-6-(2-amino-6-oxo-1H-purin-9-yl)-4-[[(2S,6R)-6-(4-amino-2-oxopyrimidin-1-yl)-4-[[(2S,6R)-6-(4-amino-2-oxopyrimidin-1-yl)-4-[dimethylamino-[[(2S,6R)-4-methyl-6-(5-methyl-2,4-dioxopyrimidin-1-yl)morpholin-2-yl]methoxy]phosphoryl]morpholin-2-yl]methoxy-(dimethylamino)phosphoryl]morpholin-2-yl]methoxy-(dimethylamino)phosphoryl]morpholin-2-yl]methoxy-(dimethylamino)phosphoryl]-6-(5-methyl-2,4-dioxopyrimidin-1-yl)morpholin-2-yl]methoxy-(dimethylamino)phosphoryl]-6-(5-methyl-2,4-dioxopyrimidin-1-yl)morpholin-2-yl]methoxy-(dimethylamino)phosphoryl]morpholin-2-yl]methoxy-(dimethylamino)phosphoryl]piperazine-1-carboxylate
SMILESCc1cn([C@H]2CN(C)C[C@@H](COP(=O)(N(C)C)N3C[C@@H](COP(=O)(N(C)C)N4C[C@@H](COP(=O)(N(C)C)N5C[C@@H](COP(=O)(N(C)C)N6C[C@@H](COP(=O)(N(C)C)N7C[C@@H](COP(=O)(N(C)C)N8C[C@@H](COP(=O)(N(C)C)N9CCN(C(=O)OCCOCCOCCO)CC9)O[C@@H](n9cnc%10c(=O)[nH]c(N)nc%109)C8)O[C@@H](n8cc(C)c(=O)[nH]c8=O)C7)O[C@@H](n7cc(C)c(=O)[nH]c7=O)C6)O[C@@H](n6cnc7c(=O)[nH]c(N)nc76)C5)O[C@@H](n5ccc(N)nc5=O)C4)O[C@@H](n4ccc(N)nc4=O)C3)O2)c(=O)[nH]c1=O.ICI
InChIInChI=1S/C94H153N38O36P7.CH2I2/c1-59-33-128(91(141)107-82(59)134)71-43-117(18)36-62(162-71)50-156-170(146,111(6)7)120-37-63(163-72(44-120)126-21-19-69(95)101-89(126)139)52-157-171(147,112(8)9)121-38-64(164-73(45-121)127-22-20-70(96)102-90(127)140)53-158-174(150,115(14)15)125-42-68(168-77(49-125)132-58-100-79-81(132)104-88(98)106-86(79)138)56-161-173(149,114(12)13)123-39-65(165-75(47-123)130-35-61(3)84(136)109-93(130)143)54-159-172(148,113(10)11)122-40-66(166-74(46-122)129-34-60(2)83(135)108-92(129)142)55-160-175(151,116(16)17)124-41-67(167-76(48-124)131-57-99-78-80(131)103-87(97)105-85(78)137)51-155-169(145,110(4)5)119-25-23-118(24-26-119)94(144)154-32-31-153-30-29-152-28-27-133;2-1-3/h19-22,33-35,57-58,62-68,71-77,133H,23-32,36-56H2,1-18H3,(H2,95,101,139)(H2,96,102,140)(H,107,134,141)(H,108,135,142)(H,109,136,143)(H3,97,103,105,137)(H3,98,104,106,138);1H2/t62-,63-,64-,65-,66-,67-,68-,71+,72+,73+,74+,75+,76+,77+,169?,170?,171?,172?,173?,174?,175?;/m0./s1
InChIKeyNXHNUBRUUNWQTP-CBQLFBRQSA-N
XLogP-0.91
TPSA831.12 Ų
H-Bond Donors10
H-Bond Acceptors54
Rotatable Bonds50
Heavy Atoms178
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002876.14
LogP ≤ 5-0.91
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1054

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

Analyze diiodomethane;2-[2-(2-hydroxyethoxy)ethoxy]ethyl 4-[[(2S,6R)-6-(2-amino-6-oxo-1H-purin-9-yl)-4-[[(2S,6R)-4-[[(2S,6R)-4-[[(2S,6R)-6-(2-amino-6-oxo-1H-purin-9-yl)-4-[[(2S,6R)-6-(4-amino-2-oxopyrimidin-1-yl)-4-[[(2S,6R)-6-(4-amino-2-oxopyrimidin-1-yl)-4-[dimethylamino-[[(2S,6R)-4-methyl-6-(5-methyl-2,4-dioxopyrimidin-1-yl)morpholin-2-yl]methoxy]phosphoryl]morpholin-2-yl]methoxy-(dimethylamino)phosphoryl]morpholin-2-yl]methoxy-(dimethylamino)phosphoryl]morpholin-2-yl]methoxy-(dimethylamino)phosphoryl]-6-(5-methyl-2,4-dioxopyrimidin-1-yl)morpholin-2-yl]methoxy-(dimethylamino)phosphoryl]-6-(5-methyl-2,4-dioxopyrimidin-1-yl)morpholin-2-yl]methoxy-(dimethylamino)phosphoryl]morpholin-2-yl]methoxy-(dimethylamino)phosphoryl]piperazine-1-carboxylate with MolForge

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Related Compounds

Frequently Asked Questions

What is the IUPAC name of diiodomethane;2-[2-(2-hydroxyethoxy)ethoxy]ethyl 4-[[(2S,6R)-6-(2-amino-6-oxo-1H-purin-9-yl)-4-[[(2S,6R)-4-[[(2S,6R)-4-[[(2S,6R)-6-(2-amino-6-oxo-1H-purin-9-yl)-4-[[(2S,6R)-6-(4-amino-2-oxopyrimidin-1-yl)-4-[[(2S,6R)-6-(4-amino-2-oxopyrimidin-1-yl)-4-[dimethylamino-[[(2S,6R)-4-methyl-6-(5-methyl-2,4-dioxopyrimidin-1-yl)morpholin-2-yl]methoxy]phosphoryl]morpholin-2-yl]methoxy-(dimethylamino)phosphoryl]morpholin-2-yl]methoxy-(dimethylamino)phosphoryl]morpholin-2-yl]methoxy-(dimethylamino)phosphoryl]-6-(5-methyl-2,4-dioxopyrimidin-1-yl)morpholin-2-yl]methoxy-(dimethylamino)phosphoryl]-6-(5-methyl-2,4-dioxopyrimidin-1-yl)morpholin-2-yl]methoxy-(dimethylamino)phosphoryl]morpholin-2-yl]methoxy-(dimethylamino)phosphoryl]piperazine-1-carboxylate?
The IUPAC name of diiodomethane;2-[2-(2-hydroxyethoxy)ethoxy]ethyl 4-[[(2S,6R)-6-(2-amino-6-oxo-1H-purin-9-yl)-4-[[(2S,6R)-4-[[(2S,6R)-4-[[(2S,6R)-6-(2-amino-6-oxo-1H-purin-9-yl)-4-[[(2S,6R)-6-(4-amino-2-oxopyrimidin-1-yl)-4-[[(2S,6R)-6-(4-amino-2-oxopyrimidin-1-yl)-4-[dimethylamino-[[(2S,6R)-4-methyl-6-(5-methyl-2,4-dioxopyrimidin-1-yl)morpholin-2-yl]methoxy]phosphoryl]morpholin-2-yl]methoxy-(dimethylamino)phosphoryl]morpholin-2-yl]methoxy-(dimethylamino)phosphoryl]morpholin-2-yl]methoxy-(dimethylamino)phosphoryl]-6-(5-methyl-2,4-dioxopyrimidin-1-yl)morpholin-2-yl]methoxy-(dimethylamino)phosphoryl]-6-(5-methyl-2,4-dioxopyrimidin-1-yl)morpholin-2-yl]methoxy-(dimethylamino)phosphoryl]morpholin-2-yl]methoxy-(dimethylamino)phosphoryl]piperazine-1-carboxylate (CID 167631809) is diiodomethane;2-[2-(2-hydroxyethoxy)ethoxy]ethyl 4-[[(2S,6R)-6-(2-amino-6-oxo-1H-purin-9-yl)-4-[[(2S,6R)-4-[[(2S,6R)-4-[[(2S,6R)-6-(2-amino-6-oxo-1H-purin-9-yl)-4-[[(2S,6R)-6-(4-amino-2-oxopyrimidin-1-yl)-4-[[(2S,6R)-6-(4-amino-2-oxopyrimidin-1-yl)-4-[dimethylamino-[[(2S,6R)-4-methyl-6-(5-methyl-2,4-dioxopyrimidin-1-yl)morpholin-2-yl]methoxy]phosphoryl]morpholin-2-yl]methoxy-(dimethylamino)phosphoryl]morpholin-2-yl]methoxy-(dimethylamino)phosphoryl]morpholin-2-yl]methoxy-(dimethylamino)phosphoryl]-6-(5-methyl-2,4-dioxopyrimidin-1-yl)morpholin-2-yl]methoxy-(dimethylamino)phosphoryl]-6-(5-methyl-2,4-dioxopyrimidin-1-yl)morpholin-2-yl]methoxy-(dimethylamino)phosphoryl]morpholin-2-yl]methoxy-(dimethylamino)phosphoryl]piperazine-1-carboxylate.
What is the SMILES notation for diiodomethane;2-[2-(2-hydroxyethoxy)ethoxy]ethyl 4-[[(2S,6R)-6-(2-amino-6-oxo-1H-purin-9-yl)-4-[[(2S,6R)-4-[[(2S,6R)-4-[[(2S,6R)-6-(2-amino-6-oxo-1H-purin-9-yl)-4-[[(2S,6R)-6-(4-amino-2-oxopyrimidin-1-yl)-4-[[(2S,6R)-6-(4-amino-2-oxopyrimidin-1-yl)-4-[dimethylamino-[[(2S,6R)-4-methyl-6-(5-methyl-2,4-dioxopyrimidin-1-yl)morpholin-2-yl]methoxy]phosphoryl]morpholin-2-yl]methoxy-(dimethylamino)phosphoryl]morpholin-2-yl]methoxy-(dimethylamino)phosphoryl]morpholin-2-yl]methoxy-(dimethylamino)phosphoryl]-6-(5-methyl-2,4-dioxopyrimidin-1-yl)morpholin-2-yl]methoxy-(dimethylamino)phosphoryl]-6-(5-methyl-2,4-dioxopyrimidin-1-yl)morpholin-2-yl]methoxy-(dimethylamino)phosphoryl]morpholin-2-yl]methoxy-(dimethylamino)phosphoryl]piperazine-1-carboxylate?
The canonical SMILES for diiodomethane;2-[2-(2-hydroxyethoxy)ethoxy]ethyl 4-[[(2S,6R)-6-(2-amino-6-oxo-1H-purin-9-yl)-4-[[(2S,6R)-4-[[(2S,6R)-4-[[(2S,6R)-6-(2-amino-6-oxo-1H-purin-9-yl)-4-[[(2S,6R)-6-(4-amino-2-oxopyrimidin-1-yl)-4-[[(2S,6R)-6-(4-amino-2-oxopyrimidin-1-yl)-4-[dimethylamino-[[(2S,6R)-4-methyl-6-(5-methyl-2,4-dioxopyrimidin-1-yl)morpholin-2-yl]methoxy]phosphoryl]morpholin-2-yl]methoxy-(dimethylamino)phosphoryl]morpholin-2-yl]methoxy-(dimethylamino)phosphoryl]morpholin-2-yl]methoxy-(dimethylamino)phosphoryl]-6-(5-methyl-2,4-dioxopyrimidin-1-yl)morpholin-2-yl]methoxy-(dimethylamino)phosphoryl]-6-(5-methyl-2,4-dioxopyrimidin-1-yl)morpholin-2-yl]methoxy-(dimethylamino)phosphoryl]morpholin-2-yl]methoxy-(dimethylamino)phosphoryl]piperazine-1-carboxylate is Cc1cn([C@H]2CN(C)C[C@@H](COP(=O)(N(C)C)N3C[C@@H](COP(=O)(N(C)C)N4C[C@@H](COP(=O)(N(C)C)N5C[C@@H](COP(=O)(N(C)C)N6C[C@@H](COP(=O)(N(C)C)N7C[C@@H](COP(=O)(N(C)C)N8C[C@@H](COP(=O)(N(C)C)N9CCN(C(=O)OCCOCCOCCO)CC9)O[C@@H](n9cnc%10c(=O)[nH]c(N)nc%109)C8)O[C@@H](n8cc(C)c(=O)[nH]c8=O)C7)O[C@@H](n7cc(C)c(=O)[nH]c7=O)C6)O[C@@H](n6cnc7c(=O)[nH]c(N)nc76)C5)O[C@@H](n5ccc(N)nc5=O)C4)O[C@@H](n4ccc(N)nc4=O)C3)O2)c(=O)[nH]c1=O.ICI.
What is the InChIKey of diiodomethane;2-[2-(2-hydroxyethoxy)ethoxy]ethyl 4-[[(2S,6R)-6-(2-amino-6-oxo-1H-purin-9-yl)-4-[[(2S,6R)-4-[[(2S,6R)-4-[[(2S,6R)-6-(2-amino-6-oxo-1H-purin-9-yl)-4-[[(2S,6R)-6-(4-amino-2-oxopyrimidin-1-yl)-4-[[(2S,6R)-6-(4-amino-2-oxopyrimidin-1-yl)-4-[dimethylamino-[[(2S,6R)-4-methyl-6-(5-methyl-2,4-dioxopyrimidin-1-yl)morpholin-2-yl]methoxy]phosphoryl]morpholin-2-yl]methoxy-(dimethylamino)phosphoryl]morpholin-2-yl]methoxy-(dimethylamino)phosphoryl]morpholin-2-yl]methoxy-(dimethylamino)phosphoryl]-6-(5-methyl-2,4-dioxopyrimidin-1-yl)morpholin-2-yl]methoxy-(dimethylamino)phosphoryl]-6-(5-methyl-2,4-dioxopyrimidin-1-yl)morpholin-2-yl]methoxy-(dimethylamino)phosphoryl]morpholin-2-yl]methoxy-(dimethylamino)phosphoryl]piperazine-1-carboxylate?
The InChIKey is NXHNUBRUUNWQTP-CBQLFBRQSA-N. The full InChI is InChI=1S/C94H153N38O36P7.CH2I2/c1-59-33-128(91(141)107-82(59)134)71-43-117(18)36-62(162-71)50-156-170(146,111(6)7)120-37-63(163-72(44-120)126-21-19-69(95)101-89(126)139)52-157-171(147,112(8)9)121-38-64(164-73(45-121)127-22-20-70(96)102-90(127)140)53-158-174(150,115(14)15)125-42-68(168-77(49-125)132-58-100-79-81(132)104-88(98)106-86(79)138)56-161-173(149,114(12)13)123-39-65(165-75(47-123)130-35-61(3)84(136)109-93(130)143)54-159-172(148,113(10)11)122-40-66(166-74(46-122)129-34-60(2)83(135)108-92(129)142)55-160-175(151,116(16)17)124-41-67(167-76(48-124)131-57-99-78-80(131)103-87(97)105-85(78)137)51-155-169(145,110(4)5)119-25-23-118(24-26-119)94(144)154-32-31-153-30-29-152-28-27-133;2-1-3/h19-22,33-35,57-58,62-68,71-77,133H,23-32,36-56H2,1-18H3,(H2,95,101,139)(H2,96,102,140)(H,107,134,141)(H,108,135,142)(H,109,136,143)(H3,97,103,105,137)(H3,98,104,106,138);1H2/t62-,63-,64-,65-,66-,67-,68-,71+,72+,73+,74+,75+,76+,77+,169?,170?,171?,172?,173?,174?,175?;/m0./s1.
What are the key properties of diiodomethane;2-[2-(2-hydroxyethoxy)ethoxy]ethyl 4-[[(2S,6R)-6-(2-amino-6-oxo-1H-purin-9-yl)-4-[[(2S,6R)-4-[[(2S,6R)-4-[[(2S,6R)-6-(2-amino-6-oxo-1H-purin-9-yl)-4-[[(2S,6R)-6-(4-amino-2-oxopyrimidin-1-yl)-4-[[(2S,6R)-6-(4-amino-2-oxopyrimidin-1-yl)-4-[dimethylamino-[[(2S,6R)-4-methyl-6-(5-methyl-2,4-dioxopyrimidin-1-yl)morpholin-2-yl]methoxy]phosphoryl]morpholin-2-yl]methoxy-(dimethylamino)phosphoryl]morpholin-2-yl]methoxy-(dimethylamino)phosphoryl]morpholin-2-yl]methoxy-(dimethylamino)phosphoryl]-6-(5-methyl-2,4-dioxopyrimidin-1-yl)morpholin-2-yl]methoxy-(dimethylamino)phosphoryl]-6-(5-methyl-2,4-dioxopyrimidin-1-yl)morpholin-2-yl]methoxy-(dimethylamino)phosphoryl]morpholin-2-yl]methoxy-(dimethylamino)phosphoryl]piperazine-1-carboxylate?
diiodomethane;2-[2-(2-hydroxyethoxy)ethoxy]ethyl 4-[[(2S,6R)-6-(2-amino-6-oxo-1H-purin-9-yl)-4-[[(2S,6R)-4-[[(2S,6R)-4-[[(2S,6R)-6-(2-amino-6-oxo-1H-purin-9-yl)-4-[[(2S,6R)-6-(4-amino-2-oxopyrimidin-1-yl)-4-[[(2S,6R)-6-(4-amino-2-oxopyrimidin-1-yl)-4-[dimethylamino-[[(2S,6R)-4-methyl-6-(5-methyl-2,4-dioxopyrimidin-1-yl)morpholin-2-yl]methoxy]phosphoryl]morpholin-2-yl]methoxy-(dimethylamino)phosphoryl]morpholin-2-yl]methoxy-(dimethylamino)phosphoryl]morpholin-2-yl]methoxy-(dimethylamino)phosphoryl]-6-(5-methyl-2,4-dioxopyrimidin-1-yl)morpholin-2-yl]methoxy-(dimethylamino)phosphoryl]-6-(5-methyl-2,4-dioxopyrimidin-1-yl)morpholin-2-yl]methoxy-(dimethylamino)phosphoryl]morpholin-2-yl]methoxy-(dimethylamino)phosphoryl]piperazine-1-carboxylate has a molecular weight of 2876.14 g/mol, XLogP of -0.91, 50 rotatable bonds, 10 hydrogen bond donors, and 54 hydrogen bond acceptors.
Where does this data come from?
All data for diiodomethane;2-[2-(2-hydroxyethoxy)ethoxy]ethyl 4-[[(2S,6R)-6-(2-amino-6-oxo-1H-purin-9-yl)-4-[[(2S,6R)-4-[[(2S,6R)-4-[[(2S,6R)-6-(2-amino-6-oxo-1H-purin-9-yl)-4-[[(2S,6R)-6-(4-amino-2-oxopyrimidin-1-yl)-4-[[(2S,6R)-6-(4-amino-2-oxopyrimidin-1-yl)-4-[dimethylamino-[[(2S,6R)-4-methyl-6-(5-methyl-2,4-dioxopyrimidin-1-yl)morpholin-2-yl]methoxy]phosphoryl]morpholin-2-yl]methoxy-(dimethylamino)phosphoryl]morpholin-2-yl]methoxy-(dimethylamino)phosphoryl]morpholin-2-yl]methoxy-(dimethylamino)phosphoryl]-6-(5-methyl-2,4-dioxopyrimidin-1-yl)morpholin-2-yl]methoxy-(dimethylamino)phosphoryl]-6-(5-methyl-2,4-dioxopyrimidin-1-yl)morpholin-2-yl]methoxy-(dimethylamino)phosphoryl]morpholin-2-yl]methoxy-(dimethylamino)phosphoryl]piperazine-1-carboxylate is sourced from PubChem (CID 167631809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).