[1-(2,2-dipropylpentoxy)-3-[6-[[1-(2,2-dipropylpentoxy)-3-[6-[[1-(2,2-dipropylpentoxy)-3-[[2-[[[1-(2,2-dipropylpentoxy)-3-[7-[[2-(2,2-dipropylpentoxy)-1-[6-[[3-(2,2-dipropylpentoxy)-2-[heptoxy(hydroxy)phosphoryl]oxypropoxy]-hydroxyphosphoryl]oxyhexoxy-hydroxyphosphoryl]oxyethoxy]-hydroxyphosphoryl]oxyheptoxy-hydroxyphosphoryl]oxypropan-2-yl]oxy-hydroxyphosphoryl]oxymethyl]-3-[hydroxy(6-hydroxyhexoxy)phosphoryl]oxy-2-methylpropoxy]-hydroxyphosphoryl]oxypropan-2-yl]oxy-hydroxyphosphoryl]oxyhexoxy-hydroxyphosphoryl]oxypropan-2-yl]oxy-hydroxyphosphoryl]oxyhexoxy-hydroxyphosphoryl]oxypropan-2-yl] heptyl hydrogen phosphate

C133H281O59P13 — CID 159567344

About [1-(2,2-dipropylpentoxy)-3-[6-[[1-(2,2-dipropylpentoxy)-3-[6-[[1-(2,2-dipropylpentoxy)-3-[[2-[[[1-(2,2-dipropylpentoxy)-3-[7-[[2-(2,2-dipropylpentoxy)-1-[6-[[3-(2,2-dipropylpentoxy)-2-[heptoxy(hydroxy)phosphoryl]oxypropoxy]-hydroxyphosphoryl]oxyhexoxy-hydroxyphosphoryl]oxyethoxy]-hydroxyphosphoryl]oxyheptoxy-hydroxyphosphoryl]oxypropan-2-yl]oxy-hydroxyphosphoryl]oxymethyl]-3-[hydroxy(6-hydroxyhexoxy)phosphoryl]oxy-2-methylpropoxy]-hydroxyphosphoryl]oxypropan-2-yl]oxy-hydroxyphosphoryl]oxyhexoxy-hydroxyphosphoryl]oxypropan-2-yl]oxy-hydroxyphosphoryl]oxyhexoxy-hydroxyphosphoryl]oxypropan-2-yl] heptyl hydrogen phosphate

[1-(2,2-dipropylpentoxy)-3-[6-[[1-(2,2-dipropylpentoxy)-3-[6-[[1-(2,2-dipropylpentoxy)-3-[[2-[[[1-(2,2-dipropylpentoxy)-3-[7-[[2-(2,2-dipropylpentoxy)-1-[6-[[3-(2,2-dipropylpentoxy)-2-[heptoxy(hydroxy)phosphoryl]oxypropoxy]-hydroxyphosphoryl]oxyhexoxy-hydroxyphosphoryl]oxyethoxy]-hydroxyphosphoryl]oxyheptoxy-hydroxyphosphoryl]oxypropan-2-yl]oxy-hydroxyphosphoryl]oxymethyl]-3-[hydroxy(6-hydroxyhexoxy)phosphoryl]oxy-2-methylpropoxy]-hydroxyphosphoryl]oxypropan-2-yl]oxy-hydroxyphosphoryl]oxyhexoxy-hydroxyphosphoryl]oxypropan-2-yl]oxy-hydroxyphosphoryl]oxyhexoxy-hydroxyphosphoryl]oxypropan-2-yl] heptyl hydrogen phosphate (PubChem CID 159567344) has the molecular formula C133H281O59P13 and a molecular weight of 3227.31 g/mol. Its IUPAC name is [1-(2,2-dipropylpentoxy)-3-[6-[[1-(2,2-dipropylpentoxy)-3-[6-[[1-(2,2-dipropylpentoxy)-3-[[2-[[[1-(2,2-dipropylpentoxy)-3-[7-[[2-(2,2-dipropylpentoxy)-1-[6-[[3-(2,2-dipropylpentoxy)-2-[heptoxy(hydroxy)phosphoryl]oxypropoxy]-hydroxyphosphoryl]oxyhexoxy-hydroxyphosphoryl]oxyethoxy]-hydroxyphosphoryl]oxyheptoxy-hydroxyphosphoryl]oxypropan-2-yl]oxy-hydroxyphosphoryl]oxymethyl]-3-[hydroxy(6-hydroxyhexoxy)phosphoryl]oxy-2-methylpropoxy]-hydroxyphosphoryl]oxypropan-2-yl]oxy-hydroxyphosphoryl]oxyhexoxy-hydroxyphosphoryl]oxypropan-2-yl]oxy-hydroxyphosphoryl]oxyhexoxy-hydroxyphosphoryl]oxypropan-2-yl] heptyl hydrogen phosphate.

Molecular Properties

• Compound Name: [1-(2,2-dipropylpentoxy)-3-[6-[[1-(2,2-dipropylpentoxy)-3-[6-[[1-(2,2-dipropylpentoxy)-3-[[2-[[[1-(2,2-dipropylpentoxy)-3-[7-[[2-(2,2-dipropylpentoxy)-1-[6-[[3-(2,2-dipropylpentoxy)-2-[heptoxy(hydroxy)phosphoryl]oxypropoxy]-hydroxyphosphoryl]oxyhexoxy-hydroxyphosphoryl]oxyethoxy]-hydroxyphosphoryl]oxyheptoxy-hydroxyphosphoryl]oxypropan-2-yl]oxy-hydroxyphosphoryl]oxymethyl]-3-[hydroxy(6-hydroxyhexoxy)phosphoryl]oxy-2-methylpropoxy]-hydroxyphosphoryl]oxypropan-2-yl]oxy-hydroxyphosphoryl]oxyhexoxy-hydroxyphosphoryl]oxypropan-2-yl]oxy-hydroxyphosphoryl]oxyhexoxy-hydroxyphosphoryl]oxypropan-2-yl] heptyl hydrogen phosphate
• PubChem CID: 159567344
• Molecular Formula: C133H281O59P13
• Molecular Weight: 3227.31 g/mol
• Exact Mass: 3225.56
• IUPAC Name: [1-(2,2-dipropylpentoxy)-3-[6-[[1-(2,2-dipropylpentoxy)-3-[6-[[1-(2,2-dipropylpentoxy)-3-[[2-[[[1-(2,2-dipropylpentoxy)-3-[7-[[2-(2,2-dipropylpentoxy)-1-[6-[[3-(2,2-dipropylpentoxy)-2-[heptoxy(hydroxy)phosphoryl]oxypropoxy]-hydroxyphosphoryl]oxyhexoxy-hydroxyphosphoryl]oxyethoxy]-hydroxyphosphoryl]oxyheptoxy-hydroxyphosphoryl]oxypropan-2-yl]oxy-hydroxyphosphoryl]oxymethyl]-3-[hydroxy(6-hydroxyhexoxy)phosphoryl]oxy-2-methylpropoxy]-hydroxyphosphoryl]oxypropan-2-yl]oxy-hydroxyphosphoryl]oxyhexoxy-hydroxyphosphoryl]oxypropan-2-yl]oxy-hydroxyphosphoryl]oxyhexoxy-hydroxyphosphoryl]oxypropan-2-yl] heptyl hydrogen phosphate
• SMILES: CCCCCCCOP(=O)(O)OC(COCC(CCC)(CCC)CCC)COP(=O)(O)OCCCCCCOP(=O)(O)OC(COCC(CCC)(CCC)CCC)COP(=O)(O)OCCCCCCOP(=O)(O)OC(COCC(CCC)(CCC)CCC)COP(=O)(O)OCC(C)(COP(=O)(O)OCCCCCCO)COP(=O)(O)OC(COCC(CCC)(CCC)CCC)COP(=O)(O)OCCCCCCCOP(=O)(O)OC(COCC(CCC)(CCC)CCC)OP(=O)(O)OCCCCCCOP(=O)(O)OCC(COCC(CCC)(CCC)CCC)OP(=O)(O)OCCCCCCC
• InChI: InChI=1S/C133H281O59P13/c1-22-42-44-48-60-95-172-199(147,148)186-121(101-161-115-128(71-24-3,72-25-4)73-26-5)106-178-194(137,138)168-91-65-53-56-68-97-174-201(151,152)188-123(103-163-117-130(77-30-9,78-31-10)79-32-11)108-180-195(139,140)169-92-66-54-57-69-98-175-202(153,154)189-124(104-164-118-131(80-33-12,81-34-13)82-35-14)110-182-198(145,146)184-113-127(21,112-183-197(143,144)171-94-64-52-47-59-89-134)114-185-205(159,160)190-125(105-165-119-132(83-36-15,84-37-16)85-38-17)109-181-193(135,136)167-90-62-50-46-51-63-99-176-203(155,156)191-126(111-166-120-133(86-39-18,87-40-19)88-41-20)192-204(157,158)177-100-70-58-55-67-93-170-196(141,142)179-107-122(187-200(149,150)173-96-61-49-45-43-23-2)102-162-116-129(74-27-6,75-28-7)76-29-8/h121-126,134H,22-120H2,1-21H3,(H,135,136)(H,137,138)(H,139,140)(H,141,142)(H,143,144)(H,145,146)(H,147,148)(H,149,150)(H,151,152)(H,153,154)(H,155,156)(H,157,158)(H,159,160)
• InChIKey: UIECGOAJOIKWKP-UHFFFAOYSA-N
• XLogP: 37.44
• TPSA: 800.49 Ų
• H-Bond Donors: 14
• H-Bond Acceptors: 46
• Rotatable Bonds: 156
• Heavy Atoms: 205
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3227.31
LogP ≤ 5	37.44
H-Bond Donors ≤ 5	14
H-Bond Acceptors ≤ 10	46

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [1-(2,2-dipropylpentoxy)-3-[6-[[1-(2,2-dipropylpentoxy)-3-[6-[[1-(2,2-dipropylpentoxy)-3-[[2-[[[1-(2,2-dipropylpentoxy)-3-[7-[[2-(2,2-dipropylpentoxy)-1-[6-[[3-(2,2-dipropylpentoxy)-2-[heptoxy(hydroxy)phosphoryl]oxypropoxy]-hydroxyphosphoryl]oxyhexoxy-hydroxyphosphoryl]oxyethoxy]-hydroxyphosphoryl]oxyheptoxy-hydroxyphosphoryl]oxypropan-2-yl]oxy-hydroxyphosphoryl]oxymethyl]-3-[hydroxy(6-hydroxyhexoxy)phosphoryl]oxy-2-methylpropoxy]-hydroxyphosphoryl]oxypropan-2-yl]oxy-hydroxyphosphoryl]oxyhexoxy-hydroxyphosphoryl]oxypropan-2-yl]oxy-hydroxyphosphoryl]oxyhexoxy-hydroxyphosphoryl]oxypropan-2-yl] heptyl hydrogen phosphate?

The IUPAC name of [1-(2,2-dipropylpentoxy)-3-[6-[[1-(2,2-dipropylpentoxy)-3-[6-[[1-(2,2-dipropylpentoxy)-3-[[2-[[[1-(2,2-dipropylpentoxy)-3-[7-[[2-(2,2-dipropylpentoxy)-1-[6-[[3-(2,2-dipropylpentoxy)-2-[heptoxy(hydroxy)phosphoryl]oxypropoxy]-hydroxyphosphoryl]oxyhexoxy-hydroxyphosphoryl]oxyethoxy]-hydroxyphosphoryl]oxyheptoxy-hydroxyphosphoryl]oxypropan-2-yl]oxy-hydroxyphosphoryl]oxymethyl]-3-[hydroxy(6-hydroxyhexoxy)phosphoryl]oxy-2-methylpropoxy]-hydroxyphosphoryl]oxypropan-2-yl]oxy-hydroxyphosphoryl]oxyhexoxy-hydroxyphosphoryl]oxypropan-2-yl]oxy-hydroxyphosphoryl]oxyhexoxy-hydroxyphosphoryl]oxypropan-2-yl] heptyl hydrogen phosphate (CID 159567344) is [1-(2,2-dipropylpentoxy)-3-[6-[[1-(2,2-dipropylpentoxy)-3-[6-[[1-(2,2-dipropylpentoxy)-3-[[2-[[[1-(2,2-dipropylpentoxy)-3-[7-[[2-(2,2-dipropylpentoxy)-1-[6-[[3-(2,2-dipropylpentoxy)-2-[heptoxy(hydroxy)phosphoryl]oxypropoxy]-hydroxyphosphoryl]oxyhexoxy-hydroxyphosphoryl]oxyethoxy]-hydroxyphosphoryl]oxyheptoxy-hydroxyphosphoryl]oxypropan-2-yl]oxy-hydroxyphosphoryl]oxymethyl]-3-[hydroxy(6-hydroxyhexoxy)phosphoryl]oxy-2-methylpropoxy]-hydroxyphosphoryl]oxypropan-2-yl]oxy-hydroxyphosphoryl]oxyhexoxy-hydroxyphosphoryl]oxypropan-2-yl]oxy-hydroxyphosphoryl]oxyhexoxy-hydroxyphosphoryl]oxypropan-2-yl] heptyl hydrogen phosphate.

What is the SMILES notation for [1-(2,2-dipropylpentoxy)-3-[6-[[1-(2,2-dipropylpentoxy)-3-[6-[[1-(2,2-dipropylpentoxy)-3-[[2-[[[1-(2,2-dipropylpentoxy)-3-[7-[[2-(2,2-dipropylpentoxy)-1-[6-[[3-(2,2-dipropylpentoxy)-2-[heptoxy(hydroxy)phosphoryl]oxypropoxy]-hydroxyphosphoryl]oxyhexoxy-hydroxyphosphoryl]oxyethoxy]-hydroxyphosphoryl]oxyheptoxy-hydroxyphosphoryl]oxypropan-2-yl]oxy-hydroxyphosphoryl]oxymethyl]-3-[hydroxy(6-hydroxyhexoxy)phosphoryl]oxy-2-methylpropoxy]-hydroxyphosphoryl]oxypropan-2-yl]oxy-hydroxyphosphoryl]oxyhexoxy-hydroxyphosphoryl]oxypropan-2-yl]oxy-hydroxyphosphoryl]oxyhexoxy-hydroxyphosphoryl]oxypropan-2-yl] heptyl hydrogen phosphate?

The canonical SMILES for [1-(2,2-dipropylpentoxy)-3-[6-[[1-(2,2-dipropylpentoxy)-3-[6-[[1-(2,2-dipropylpentoxy)-3-[[2-[[[1-(2,2-dipropylpentoxy)-3-[7-[[2-(2,2-dipropylpentoxy)-1-[6-[[3-(2,2-dipropylpentoxy)-2-[heptoxy(hydroxy)phosphoryl]oxypropoxy]-hydroxyphosphoryl]oxyhexoxy-hydroxyphosphoryl]oxyethoxy]-hydroxyphosphoryl]oxyheptoxy-hydroxyphosphoryl]oxypropan-2-yl]oxy-hydroxyphosphoryl]oxymethyl]-3-[hydroxy(6-hydroxyhexoxy)phosphoryl]oxy-2-methylpropoxy]-hydroxyphosphoryl]oxypropan-2-yl]oxy-hydroxyphosphoryl]oxyhexoxy-hydroxyphosphoryl]oxypropan-2-yl]oxy-hydroxyphosphoryl]oxyhexoxy-hydroxyphosphoryl]oxypropan-2-yl] heptyl hydrogen phosphate is CCCCCCCOP(=O)(O)OC(COCC(CCC)(CCC)CCC)COP(=O)(O)OCCCCCCOP(=O)(O)OC(COCC(CCC)(CCC)CCC)COP(=O)(O)OCCCCCCOP(=O)(O)OC(COCC(CCC)(CCC)CCC)COP(=O)(O)OCC(C)(COP(=O)(O)OCCCCCCO)COP(=O)(O)OC(COCC(CCC)(CCC)CCC)COP(=O)(O)OCCCCCCCOP(=O)(O)OC(COCC(CCC)(CCC)CCC)OP(=O)(O)OCCCCCCOP(=O)(O)OCC(COCC(CCC)(CCC)CCC)OP(=O)(O)OCCCCCCC.

What is the InChIKey of [1-(2,2-dipropylpentoxy)-3-[6-[[1-(2,2-dipropylpentoxy)-3-[6-[[1-(2,2-dipropylpentoxy)-3-[[2-[[[1-(2,2-dipropylpentoxy)-3-[7-[[2-(2,2-dipropylpentoxy)-1-[6-[[3-(2,2-dipropylpentoxy)-2-[heptoxy(hydroxy)phosphoryl]oxypropoxy]-hydroxyphosphoryl]oxyhexoxy-hydroxyphosphoryl]oxyethoxy]-hydroxyphosphoryl]oxyheptoxy-hydroxyphosphoryl]oxypropan-2-yl]oxy-hydroxyphosphoryl]oxymethyl]-3-[hydroxy(6-hydroxyhexoxy)phosphoryl]oxy-2-methylpropoxy]-hydroxyphosphoryl]oxypropan-2-yl]oxy-hydroxyphosphoryl]oxyhexoxy-hydroxyphosphoryl]oxypropan-2-yl]oxy-hydroxyphosphoryl]oxyhexoxy-hydroxyphosphoryl]oxypropan-2-yl] heptyl hydrogen phosphate?

The InChIKey is UIECGOAJOIKWKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C133H281O59P13/c1-22-42-44-48-60-95-172-199(147,148)186-121(101-161-115-128(71-24-3,72-25-4)73-26-5)106-178-194(137,138)168-91-65-53-56-68-97-174-201(151,152)188-123(103-163-117-130(77-30-9,78-31-10)79-32-11)108-180-195(139,140)169-92-66-54-57-69-98-175-202(153,154)189-124(104-164-118-131(80-33-12,81-34-13)82-35-14)110-182-198(145,146)184-113-127(21,112-183-197(143,144)171-94-64-52-47-59-89-134)114-185-205(159,160)190-125(105-165-119-132(83-36-15,84-37-16)85-38-17)109-181-193(135,136)167-90-62-50-46-51-63-99-176-203(155,156)191-126(111-166-120-133(86-39-18,87-40-19)88-41-20)192-204(157,158)177-100-70-58-55-67-93-170-196(141,142)179-107-122(187-200(149,150)173-96-61-49-45-43-23-2)102-162-116-129(74-27-6,75-28-7)76-29-8/h121-126,134H,22-120H2,1-21H3,(H,135,136)(H,137,138)(H,139,140)(H,141,142)(H,143,144)(H,145,146)(H,147,148)(H,149,150)(H,151,152)(H,153,154)(H,155,156)(H,157,158)(H,159,160).

What are the key properties of [1-(2,2-dipropylpentoxy)-3-[6-[[1-(2,2-dipropylpentoxy)-3-[6-[[1-(2,2-dipropylpentoxy)-3-[[2-[[[1-(2,2-dipropylpentoxy)-3-[7-[[2-(2,2-dipropylpentoxy)-1-[6-[[3-(2,2-dipropylpentoxy)-2-[heptoxy(hydroxy)phosphoryl]oxypropoxy]-hydroxyphosphoryl]oxyhexoxy-hydroxyphosphoryl]oxyethoxy]-hydroxyphosphoryl]oxyheptoxy-hydroxyphosphoryl]oxypropan-2-yl]oxy-hydroxyphosphoryl]oxymethyl]-3-[hydroxy(6-hydroxyhexoxy)phosphoryl]oxy-2-methylpropoxy]-hydroxyphosphoryl]oxypropan-2-yl]oxy-hydroxyphosphoryl]oxyhexoxy-hydroxyphosphoryl]oxypropan-2-yl]oxy-hydroxyphosphoryl]oxyhexoxy-hydroxyphosphoryl]oxypropan-2-yl] heptyl hydrogen phosphate?

[1-(2,2-dipropylpentoxy)-3-[6-[[1-(2,2-dipropylpentoxy)-3-[6-[[1-(2,2-dipropylpentoxy)-3-[[2-[[[1-(2,2-dipropylpentoxy)-3-[7-[[2-(2,2-dipropylpentoxy)-1-[6-[[3-(2,2-dipropylpentoxy)-2-[heptoxy(hydroxy)phosphoryl]oxypropoxy]-hydroxyphosphoryl]oxyhexoxy-hydroxyphosphoryl]oxyethoxy]-hydroxyphosphoryl]oxyheptoxy-hydroxyphosphoryl]oxypropan-2-yl]oxy-hydroxyphosphoryl]oxymethyl]-3-[hydroxy(6-hydroxyhexoxy)phosphoryl]oxy-2-methylpropoxy]-hydroxyphosphoryl]oxypropan-2-yl]oxy-hydroxyphosphoryl]oxyhexoxy-hydroxyphosphoryl]oxypropan-2-yl]oxy-hydroxyphosphoryl]oxyhexoxy-hydroxyphosphoryl]oxypropan-2-yl] heptyl hydrogen phosphate has a molecular weight of 3227.31 g/mol, XLogP of 37.44, 156 rotatable bonds, 14 hydrogen bond donors, and 46 hydrogen bond acceptors.

Where does this data come from?

All data for [1-(2,2-dipropylpentoxy)-3-[6-[[1-(2,2-dipropylpentoxy)-3-[6-[[1-(2,2-dipropylpentoxy)-3-[[2-[[[1-(2,2-dipropylpentoxy)-3-[7-[[2-(2,2-dipropylpentoxy)-1-[6-[[3-(2,2-dipropylpentoxy)-2-[heptoxy(hydroxy)phosphoryl]oxypropoxy]-hydroxyphosphoryl]oxyhexoxy-hydroxyphosphoryl]oxyethoxy]-hydroxyphosphoryl]oxyheptoxy-hydroxyphosphoryl]oxypropan-2-yl]oxy-hydroxyphosphoryl]oxymethyl]-3-[hydroxy(6-hydroxyhexoxy)phosphoryl]oxy-2-methylpropoxy]-hydroxyphosphoryl]oxypropan-2-yl]oxy-hydroxyphosphoryl]oxyhexoxy-hydroxyphosphoryl]oxypropan-2-yl]oxy-hydroxyphosphoryl]oxyhexoxy-hydroxyphosphoryl]oxypropan-2-yl] heptyl hydrogen phosphate is sourced from PubChem (CID 159567344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).