2-[2-(2-hydroxyethoxy)ethoxy]ethyl 4-[[6-(2-amino-6-oxo-1H-purin-9-yl)-4-[[4-[[4-[[6-(2-amino-6-oxo-1H-purin-9-yl)-4-[[6-(4-amino-2-oxopyrimidin-1-yl)-4-[[6-(4-amino-2-oxopyrimidin-1-yl)-4-[dimethylamino-[[6-(5-methyl-2,4-dioxopyrimidin-1-yl)-4-propan-2-ylmorpholin-2-yl]methoxy]phosphoryl]morpholin-2-yl]methoxy-(dimethylamino)phosphoryl]morpholin-2-yl]methoxy-(dimethylamino)phosphoryl]morpholin-2-yl]methoxy-(methylamino)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

C95H155N38O36P7 — CID 139527259

About 2-[2-(2-hydroxyethoxy)ethoxy]ethyl 4-[[6-(2-amino-6-oxo-1H-purin-9-yl)-4-[[4-[[4-[[6-(2-amino-6-oxo-1H-purin-9-yl)-4-[[6-(4-amino-2-oxopyrimidin-1-yl)-4-[[6-(4-amino-2-oxopyrimidin-1-yl)-4-[dimethylamino-[[6-(5-methyl-2,4-dioxopyrimidin-1-yl)-4-propan-2-ylmorpholin-2-yl]methoxy]phosphoryl]morpholin-2-yl]methoxy-(dimethylamino)phosphoryl]morpholin-2-yl]methoxy-(dimethylamino)phosphoryl]morpholin-2-yl]methoxy-(methylamino)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

2-[2-(2-hydroxyethoxy)ethoxy]ethyl 4-[[6-(2-amino-6-oxo-1H-purin-9-yl)-4-[[4-[[4-[[6-(2-amino-6-oxo-1H-purin-9-yl)-4-[[6-(4-amino-2-oxopyrimidin-1-yl)-4-[[6-(4-amino-2-oxopyrimidin-1-yl)-4-[dimethylamino-[[6-(5-methyl-2,4-dioxopyrimidin-1-yl)-4-propan-2-ylmorpholin-2-yl]methoxy]phosphoryl]morpholin-2-yl]methoxy-(dimethylamino)phosphoryl]morpholin-2-yl]methoxy-(dimethylamino)phosphoryl]morpholin-2-yl]methoxy-(methylamino)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 139527259) has the molecular formula C95H155N38O36P7 and a molecular weight of 2622.33 g/mol. Its IUPAC name is 2-[2-(2-hydroxyethoxy)ethoxy]ethyl 4-[[6-(2-amino-6-oxo-1H-purin-9-yl)-4-[[4-[[4-[[6-(2-amino-6-oxo-1H-purin-9-yl)-4-[[6-(4-amino-2-oxopyrimidin-1-yl)-4-[[6-(4-amino-2-oxopyrimidin-1-yl)-4-[dimethylamino-[[6-(5-methyl-2,4-dioxopyrimidin-1-yl)-4-propan-2-ylmorpholin-2-yl]methoxy]phosphoryl]morpholin-2-yl]methoxy-(dimethylamino)phosphoryl]morpholin-2-yl]methoxy-(dimethylamino)phosphoryl]morpholin-2-yl]methoxy-(methylamino)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 Name: 2-[2-(2-hydroxyethoxy)ethoxy]ethyl 4-[[6-(2-amino-6-oxo-1H-purin-9-yl)-4-[[4-[[4-[[6-(2-amino-6-oxo-1H-purin-9-yl)-4-[[6-(4-amino-2-oxopyrimidin-1-yl)-4-[[6-(4-amino-2-oxopyrimidin-1-yl)-4-[dimethylamino-[[6-(5-methyl-2,4-dioxopyrimidin-1-yl)-4-propan-2-ylmorpholin-2-yl]methoxy]phosphoryl]morpholin-2-yl]methoxy-(dimethylamino)phosphoryl]morpholin-2-yl]methoxy-(dimethylamino)phosphoryl]morpholin-2-yl]methoxy-(methylamino)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: 139527259
• Molecular Formula: C95H155N38O36P7
• Molecular Weight: 2622.33 g/mol
• Exact Mass: 2620.96
• IUPAC Name: 2-[2-(2-hydroxyethoxy)ethoxy]ethyl 4-[[6-(2-amino-6-oxo-1H-purin-9-yl)-4-[[4-[[4-[[6-(2-amino-6-oxo-1H-purin-9-yl)-4-[[6-(4-amino-2-oxopyrimidin-1-yl)-4-[[6-(4-amino-2-oxopyrimidin-1-yl)-4-[dimethylamino-[[6-(5-methyl-2,4-dioxopyrimidin-1-yl)-4-propan-2-ylmorpholin-2-yl]methoxy]phosphoryl]morpholin-2-yl]methoxy-(dimethylamino)phosphoryl]morpholin-2-yl]methoxy-(dimethylamino)phosphoryl]morpholin-2-yl]methoxy-(methylamino)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
• SMILES: CNP(=O)(OCC1CN(P(=O)(OCC2CN(P(=O)(OCC3CN(P(=O)(OCC4CN(C(C)C)CC(n5cc(C)c(=O)[nH]c5=O)O4)N(C)C)CC(n4ccc(N)nc4=O)O3)N(C)C)CC(n3ccc(N)nc3=O)O2)N(C)C)CC(n2cnc3c(=O)[nH]c(N)nc32)O1)N1CC(COP(=O)(N(C)C)N2CC(COP(=O)(N(C)C)N3CC(COP(=O)(N(C)C)N4CCN(C(=O)OCCOCCOCCO)CC4)OC(n4cnc5c(=O)[nH]c(N)nc54)C3)OC(n3cc(C)c(=O)[nH]c3=O)C2)OC(n2cc(C)c(=O)[nH]c2=O)C1
• InChI: InChI=1S/C95H155N38O36P7/c1-59(2)119-36-63(163-72(43-119)129-33-60(3)83(135)109-92(129)142)51-158-172(148,113(9)10)122-39-66(164-73(45-122)127-21-19-70(96)103-90(127)140)54-160-173(149,114(11)12)123-40-67(165-74(46-123)128-22-20-71(97)104-91(128)141)55-161-175(151,116(15)16)125-38-65(168-77(48-125)132-57-101-79-81(132)105-88(98)107-86(79)138)50-156-170(146,100-6)121-37-64(166-75(44-121)130-34-61(4)84(136)110-93(130)143)52-159-174(150,115(13)14)124-41-68(167-76(47-124)131-35-62(5)85(137)111-94(131)144)56-162-176(152,117(17)18)126-42-69(169-78(49-126)133-58-102-80-82(133)106-89(99)108-87(80)139)53-157-171(147,112(7)8)120-25-23-118(24-26-120)95(145)155-32-31-154-30-29-153-28-27-134/h19-22,33-35,57-59,63-69,72-78,134H,23-32,36-56H2,1-18H3,(H,100,146)(H2,96,103,140)(H2,97,104,141)(H,109,135,142)(H,110,136,143)(H,111,137,144)(H3,98,105,107,138)(H3,99,106,108,139)
• InChIKey: YZMNOCKBRTWZGH-UHFFFAOYSA-N
• XLogP: -2.28
• TPSA: 839.91 Ų
• H-Bond Donors: 11
• H-Bond Acceptors: 54
• Rotatable Bonds: 51
• Heavy Atoms: 176
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2622.33
LogP ≤ 5	-2.28
H-Bond Donors ≤ 5	11
H-Bond Acceptors ≤ 10	54

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-hydroxyethoxy)ethoxy]ethyl 4-[[6-(2-amino-6-oxo-1H-purin-9-yl)-4-[[4-[[4-[[6-(2-amino-6-oxo-1H-purin-9-yl)-4-[[6-(4-amino-2-oxopyrimidin-1-yl)-4-[[6-(4-amino-2-oxopyrimidin-1-yl)-4-[dimethylamino-[[6-(5-methyl-2,4-dioxopyrimidin-1-yl)-4-propan-2-ylmorpholin-2-yl]methoxy]phosphoryl]morpholin-2-yl]methoxy-(dimethylamino)phosphoryl]morpholin-2-yl]methoxy-(dimethylamino)phosphoryl]morpholin-2-yl]methoxy-(methylamino)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 2-[2-(2-hydroxyethoxy)ethoxy]ethyl 4-[[6-(2-amino-6-oxo-1H-purin-9-yl)-4-[[4-[[4-[[6-(2-amino-6-oxo-1H-purin-9-yl)-4-[[6-(4-amino-2-oxopyrimidin-1-yl)-4-[[6-(4-amino-2-oxopyrimidin-1-yl)-4-[dimethylamino-[[6-(5-methyl-2,4-dioxopyrimidin-1-yl)-4-propan-2-ylmorpholin-2-yl]methoxy]phosphoryl]morpholin-2-yl]methoxy-(dimethylamino)phosphoryl]morpholin-2-yl]methoxy-(dimethylamino)phosphoryl]morpholin-2-yl]methoxy-(methylamino)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 139527259) is 2-[2-(2-hydroxyethoxy)ethoxy]ethyl 4-[[6-(2-amino-6-oxo-1H-purin-9-yl)-4-[[4-[[4-[[6-(2-amino-6-oxo-1H-purin-9-yl)-4-[[6-(4-amino-2-oxopyrimidin-1-yl)-4-[[6-(4-amino-2-oxopyrimidin-1-yl)-4-[dimethylamino-[[6-(5-methyl-2,4-dioxopyrimidin-1-yl)-4-propan-2-ylmorpholin-2-yl]methoxy]phosphoryl]morpholin-2-yl]methoxy-(dimethylamino)phosphoryl]morpholin-2-yl]methoxy-(dimethylamino)phosphoryl]morpholin-2-yl]methoxy-(methylamino)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 2-[2-(2-hydroxyethoxy)ethoxy]ethyl 4-[[6-(2-amino-6-oxo-1H-purin-9-yl)-4-[[4-[[4-[[6-(2-amino-6-oxo-1H-purin-9-yl)-4-[[6-(4-amino-2-oxopyrimidin-1-yl)-4-[[6-(4-amino-2-oxopyrimidin-1-yl)-4-[dimethylamino-[[6-(5-methyl-2,4-dioxopyrimidin-1-yl)-4-propan-2-ylmorpholin-2-yl]methoxy]phosphoryl]morpholin-2-yl]methoxy-(dimethylamino)phosphoryl]morpholin-2-yl]methoxy-(dimethylamino)phosphoryl]morpholin-2-yl]methoxy-(methylamino)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 2-[2-(2-hydroxyethoxy)ethoxy]ethyl 4-[[6-(2-amino-6-oxo-1H-purin-9-yl)-4-[[4-[[4-[[6-(2-amino-6-oxo-1H-purin-9-yl)-4-[[6-(4-amino-2-oxopyrimidin-1-yl)-4-[[6-(4-amino-2-oxopyrimidin-1-yl)-4-[dimethylamino-[[6-(5-methyl-2,4-dioxopyrimidin-1-yl)-4-propan-2-ylmorpholin-2-yl]methoxy]phosphoryl]morpholin-2-yl]methoxy-(dimethylamino)phosphoryl]morpholin-2-yl]methoxy-(dimethylamino)phosphoryl]morpholin-2-yl]methoxy-(methylamino)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 CNP(=O)(OCC1CN(P(=O)(OCC2CN(P(=O)(OCC3CN(P(=O)(OCC4CN(C(C)C)CC(n5cc(C)c(=O)[nH]c5=O)O4)N(C)C)CC(n4ccc(N)nc4=O)O3)N(C)C)CC(n3ccc(N)nc3=O)O2)N(C)C)CC(n2cnc3c(=O)[nH]c(N)nc32)O1)N1CC(COP(=O)(N(C)C)N2CC(COP(=O)(N(C)C)N3CC(COP(=O)(N(C)C)N4CCN(C(=O)OCCOCCOCCO)CC4)OC(n4cnc5c(=O)[nH]c(N)nc54)C3)OC(n3cc(C)c(=O)[nH]c3=O)C2)OC(n2cc(C)c(=O)[nH]c2=O)C1.

What is the InChIKey of 2-[2-(2-hydroxyethoxy)ethoxy]ethyl 4-[[6-(2-amino-6-oxo-1H-purin-9-yl)-4-[[4-[[4-[[6-(2-amino-6-oxo-1H-purin-9-yl)-4-[[6-(4-amino-2-oxopyrimidin-1-yl)-4-[[6-(4-amino-2-oxopyrimidin-1-yl)-4-[dimethylamino-[[6-(5-methyl-2,4-dioxopyrimidin-1-yl)-4-propan-2-ylmorpholin-2-yl]methoxy]phosphoryl]morpholin-2-yl]methoxy-(dimethylamino)phosphoryl]morpholin-2-yl]methoxy-(dimethylamino)phosphoryl]morpholin-2-yl]methoxy-(methylamino)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 YZMNOCKBRTWZGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C95H155N38O36P7/c1-59(2)119-36-63(163-72(43-119)129-33-60(3)83(135)109-92(129)142)51-158-172(148,113(9)10)122-39-66(164-73(45-122)127-21-19-70(96)103-90(127)140)54-160-173(149,114(11)12)123-40-67(165-74(46-123)128-22-20-71(97)104-91(128)141)55-161-175(151,116(15)16)125-38-65(168-77(48-125)132-57-101-79-81(132)105-88(98)107-86(79)138)50-156-170(146,100-6)121-37-64(166-75(44-121)130-34-61(4)84(136)110-93(130)143)52-159-174(150,115(13)14)124-41-68(167-76(47-124)131-35-62(5)85(137)111-94(131)144)56-162-176(152,117(17)18)126-42-69(169-78(49-126)133-58-102-80-82(133)106-89(99)108-87(80)139)53-157-171(147,112(7)8)120-25-23-118(24-26-120)95(145)155-32-31-154-30-29-153-28-27-134/h19-22,33-35,57-59,63-69,72-78,134H,23-32,36-56H2,1-18H3,(H,100,146)(H2,96,103,140)(H2,97,104,141)(H,109,135,142)(H,110,136,143)(H,111,137,144)(H3,98,105,107,138)(H3,99,106,108,139).

What are the key properties of 2-[2-(2-hydroxyethoxy)ethoxy]ethyl 4-[[6-(2-amino-6-oxo-1H-purin-9-yl)-4-[[4-[[4-[[6-(2-amino-6-oxo-1H-purin-9-yl)-4-[[6-(4-amino-2-oxopyrimidin-1-yl)-4-[[6-(4-amino-2-oxopyrimidin-1-yl)-4-[dimethylamino-[[6-(5-methyl-2,4-dioxopyrimidin-1-yl)-4-propan-2-ylmorpholin-2-yl]methoxy]phosphoryl]morpholin-2-yl]methoxy-(dimethylamino)phosphoryl]morpholin-2-yl]methoxy-(dimethylamino)phosphoryl]morpholin-2-yl]methoxy-(methylamino)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?

2-[2-(2-hydroxyethoxy)ethoxy]ethyl 4-[[6-(2-amino-6-oxo-1H-purin-9-yl)-4-[[4-[[4-[[6-(2-amino-6-oxo-1H-purin-9-yl)-4-[[6-(4-amino-2-oxopyrimidin-1-yl)-4-[[6-(4-amino-2-oxopyrimidin-1-yl)-4-[dimethylamino-[[6-(5-methyl-2,4-dioxopyrimidin-1-yl)-4-propan-2-ylmorpholin-2-yl]methoxy]phosphoryl]morpholin-2-yl]methoxy-(dimethylamino)phosphoryl]morpholin-2-yl]methoxy-(dimethylamino)phosphoryl]morpholin-2-yl]methoxy-(methylamino)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 2622.33 g/mol, XLogP of -2.28, 51 rotatable bonds, 11 hydrogen bond donors, and 54 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-(2-hydroxyethoxy)ethoxy]ethyl 4-[[6-(2-amino-6-oxo-1H-purin-9-yl)-4-[[4-[[4-[[6-(2-amino-6-oxo-1H-purin-9-yl)-4-[[6-(4-amino-2-oxopyrimidin-1-yl)-4-[[6-(4-amino-2-oxopyrimidin-1-yl)-4-[dimethylamino-[[6-(5-methyl-2,4-dioxopyrimidin-1-yl)-4-propan-2-ylmorpholin-2-yl]methoxy]phosphoryl]morpholin-2-yl]methoxy-(dimethylamino)phosphoryl]morpholin-2-yl]methoxy-(dimethylamino)phosphoryl]morpholin-2-yl]methoxy-(methylamino)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 139527259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).