[3-(2,2-dipropylpentoxy)-2-[5-[[3-(2,2-dipropylpentoxy)-2-[6-[[3-(2,2-dipropylpentoxy)-2-[[2-[[[1-(2,2-dipropylpentoxy)-3-[6-[[1-(2,2-dipropylpentoxy)-3-[6-[[1-(2,2-dipropylpentoxy)-3-[heptoxy(hydroxy)phosphoryl]oxypropan-2-yl]oxy-hydroxyphosphoryl]oxyhexoxy-hydroxyphosphoryl]oxypropan-2-yl]oxy-hydroxyphosphoryl]oxyhexoxy-hydroxyphosphoryl]oxypropan-2-yl]oxy-hydroxyphosphoryl]oxymethyl]-3-[hydroxy(6-hydroxyhexoxy)phosphoryl]oxy-2-methylpropoxy]-hydroxyphosphoryl]oxypropoxy]-hydroxyphosphoryl]oxyhexoxy-hydroxyphosphoryl]oxypropoxy]-hydroxyphosphoryl]oxypentoxy-hydroxyphosphoryl]oxypropyl] heptyl hydrogen phosphate

C132H279O59P13 — CID 147680643

About [3-(2,2-dipropylpentoxy)-2-[5-[[3-(2,2-dipropylpentoxy)-2-[6-[[3-(2,2-dipropylpentoxy)-2-[[2-[[[1-(2,2-dipropylpentoxy)-3-[6-[[1-(2,2-dipropylpentoxy)-3-[6-[[1-(2,2-dipropylpentoxy)-3-[heptoxy(hydroxy)phosphoryl]oxypropan-2-yl]oxy-hydroxyphosphoryl]oxyhexoxy-hydroxyphosphoryl]oxypropan-2-yl]oxy-hydroxyphosphoryl]oxyhexoxy-hydroxyphosphoryl]oxypropan-2-yl]oxy-hydroxyphosphoryl]oxymethyl]-3-[hydroxy(6-hydroxyhexoxy)phosphoryl]oxy-2-methylpropoxy]-hydroxyphosphoryl]oxypropoxy]-hydroxyphosphoryl]oxyhexoxy-hydroxyphosphoryl]oxypropoxy]-hydroxyphosphoryl]oxypentoxy-hydroxyphosphoryl]oxypropyl] heptyl hydrogen phosphate

[3-(2,2-dipropylpentoxy)-2-[5-[[3-(2,2-dipropylpentoxy)-2-[6-[[3-(2,2-dipropylpentoxy)-2-[[2-[[[1-(2,2-dipropylpentoxy)-3-[6-[[1-(2,2-dipropylpentoxy)-3-[6-[[1-(2,2-dipropylpentoxy)-3-[heptoxy(hydroxy)phosphoryl]oxypropan-2-yl]oxy-hydroxyphosphoryl]oxyhexoxy-hydroxyphosphoryl]oxypropan-2-yl]oxy-hydroxyphosphoryl]oxyhexoxy-hydroxyphosphoryl]oxypropan-2-yl]oxy-hydroxyphosphoryl]oxymethyl]-3-[hydroxy(6-hydroxyhexoxy)phosphoryl]oxy-2-methylpropoxy]-hydroxyphosphoryl]oxypropoxy]-hydroxyphosphoryl]oxyhexoxy-hydroxyphosphoryl]oxypropoxy]-hydroxyphosphoryl]oxypentoxy-hydroxyphosphoryl]oxypropyl] heptyl hydrogen phosphate (PubChem CID 147680643) has the molecular formula C132H279O59P13 and a molecular weight of 3213.29 g/mol. Its IUPAC name is [3-(2,2-dipropylpentoxy)-2-[5-[[3-(2,2-dipropylpentoxy)-2-[6-[[3-(2,2-dipropylpentoxy)-2-[[2-[[[1-(2,2-dipropylpentoxy)-3-[6-[[1-(2,2-dipropylpentoxy)-3-[6-[[1-(2,2-dipropylpentoxy)-3-[heptoxy(hydroxy)phosphoryl]oxypropan-2-yl]oxy-hydroxyphosphoryl]oxyhexoxy-hydroxyphosphoryl]oxypropan-2-yl]oxy-hydroxyphosphoryl]oxyhexoxy-hydroxyphosphoryl]oxypropan-2-yl]oxy-hydroxyphosphoryl]oxymethyl]-3-[hydroxy(6-hydroxyhexoxy)phosphoryl]oxy-2-methylpropoxy]-hydroxyphosphoryl]oxypropoxy]-hydroxyphosphoryl]oxyhexoxy-hydroxyphosphoryl]oxypropoxy]-hydroxyphosphoryl]oxypentoxy-hydroxyphosphoryl]oxypropyl] heptyl hydrogen phosphate.

Molecular Properties

• Compound Name: [3-(2,2-dipropylpentoxy)-2-[5-[[3-(2,2-dipropylpentoxy)-2-[6-[[3-(2,2-dipropylpentoxy)-2-[[2-[[[1-(2,2-dipropylpentoxy)-3-[6-[[1-(2,2-dipropylpentoxy)-3-[6-[[1-(2,2-dipropylpentoxy)-3-[heptoxy(hydroxy)phosphoryl]oxypropan-2-yl]oxy-hydroxyphosphoryl]oxyhexoxy-hydroxyphosphoryl]oxypropan-2-yl]oxy-hydroxyphosphoryl]oxyhexoxy-hydroxyphosphoryl]oxypropan-2-yl]oxy-hydroxyphosphoryl]oxymethyl]-3-[hydroxy(6-hydroxyhexoxy)phosphoryl]oxy-2-methylpropoxy]-hydroxyphosphoryl]oxypropoxy]-hydroxyphosphoryl]oxyhexoxy-hydroxyphosphoryl]oxypropoxy]-hydroxyphosphoryl]oxypentoxy-hydroxyphosphoryl]oxypropyl] heptyl hydrogen phosphate
• PubChem CID: 147680643
• Molecular Formula: C132H279O59P13
• Molecular Weight: 3213.29 g/mol
• Exact Mass: 3211.54
• IUPAC Name: [3-(2,2-dipropylpentoxy)-2-[5-[[3-(2,2-dipropylpentoxy)-2-[6-[[3-(2,2-dipropylpentoxy)-2-[[2-[[[1-(2,2-dipropylpentoxy)-3-[6-[[1-(2,2-dipropylpentoxy)-3-[6-[[1-(2,2-dipropylpentoxy)-3-[heptoxy(hydroxy)phosphoryl]oxypropan-2-yl]oxy-hydroxyphosphoryl]oxyhexoxy-hydroxyphosphoryl]oxypropan-2-yl]oxy-hydroxyphosphoryl]oxyhexoxy-hydroxyphosphoryl]oxypropan-2-yl]oxy-hydroxyphosphoryl]oxymethyl]-3-[hydroxy(6-hydroxyhexoxy)phosphoryl]oxy-2-methylpropoxy]-hydroxyphosphoryl]oxypropoxy]-hydroxyphosphoryl]oxyhexoxy-hydroxyphosphoryl]oxypropoxy]-hydroxyphosphoryl]oxypentoxy-hydroxyphosphoryl]oxypropyl] heptyl hydrogen phosphate
• SMILES: CCCCCCCOP(=O)(O)OCC(COCC(CCC)(CCC)CCC)OP(=O)(O)OCCCCCCOP(=O)(O)OCC(COCC(CCC)(CCC)CCC)OP(=O)(O)OCCCCCCOP(=O)(O)OCC(COCC(CCC)(CCC)CCC)OP(=O)(O)OCC(C)(COP(=O)(O)OCCCCCCO)COP(=O)(O)OC(COCC(CCC)(CCC)CCC)COP(=O)(O)OCCCCCCOP(=O)(O)OC(COCC(CCC)(CCC)CCC)COP(=O)(O)OCCCCCOP(=O)(O)OC(COCC(CCC)(CCC)CCC)COP(=O)(O)OCCCCCCC
• InChI: InChI=1S/C132H279O59P13/c1-22-42-44-47-58-88-166-192(134,135)177-105-120(99-160-114-127(69-24-3,70-25-4)71-26-5)186-199(148,149)173-95-64-53-50-61-90-168-194(138,139)179-106-121(100-161-115-128(72-27-6,73-28-7)74-29-8)187-200(150,151)174-96-65-54-51-62-91-169-195(140,141)181-109-124(103-164-118-131(81-36-15,82-37-16)83-38-17)190-203(156,157)184-112-126(21,111-183-198(146,147)172-93-60-49-46-57-87-133)113-185-204(158,159)191-125(104-165-119-132(84-39-18,85-40-19)86-41-20)110-182-196(142,143)170-92-63-52-55-66-97-175-201(152,153)188-122(101-162-116-129(75-30-9,76-31-10)77-32-11)108-180-197(144,145)171-94-67-56-68-98-176-202(154,155)189-123(102-163-117-130(78-33-12,79-34-13)80-35-14)107-178-193(136,137)167-89-59-48-45-43-23-2/h120-125,133H,22-119H2,1-21H3,(H,134,135)(H,136,137)(H,138,139)(H,140,141)(H,142,143)(H,144,145)(H,146,147)(H,148,149)(H,150,151)(H,152,153)(H,154,155)(H,156,157)(H,158,159)
• InChIKey: ILEQEJBXYMEOEC-UHFFFAOYSA-N
• XLogP: 36.71
• TPSA: 800.49 Ų
• H-Bond Donors: 14
• H-Bond Acceptors: 46
• Rotatable Bonds: 155
• Heavy Atoms: 204
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3213.29
LogP ≤ 5	36.71
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': 'phosphor', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [3-(2,2-dipropylpentoxy)-2-[5-[[3-(2,2-dipropylpentoxy)-2-[6-[[3-(2,2-dipropylpentoxy)-2-[[2-[[[1-(2,2-dipropylpentoxy)-3-[6-[[1-(2,2-dipropylpentoxy)-3-[6-[[1-(2,2-dipropylpentoxy)-3-[heptoxy(hydroxy)phosphoryl]oxypropan-2-yl]oxy-hydroxyphosphoryl]oxyhexoxy-hydroxyphosphoryl]oxypropan-2-yl]oxy-hydroxyphosphoryl]oxyhexoxy-hydroxyphosphoryl]oxypropan-2-yl]oxy-hydroxyphosphoryl]oxymethyl]-3-[hydroxy(6-hydroxyhexoxy)phosphoryl]oxy-2-methylpropoxy]-hydroxyphosphoryl]oxypropoxy]-hydroxyphosphoryl]oxyhexoxy-hydroxyphosphoryl]oxypropoxy]-hydroxyphosphoryl]oxypentoxy-hydroxyphosphoryl]oxypropyl] heptyl hydrogen phosphate?

The IUPAC name of [3-(2,2-dipropylpentoxy)-2-[5-[[3-(2,2-dipropylpentoxy)-2-[6-[[3-(2,2-dipropylpentoxy)-2-[[2-[[[1-(2,2-dipropylpentoxy)-3-[6-[[1-(2,2-dipropylpentoxy)-3-[6-[[1-(2,2-dipropylpentoxy)-3-[heptoxy(hydroxy)phosphoryl]oxypropan-2-yl]oxy-hydroxyphosphoryl]oxyhexoxy-hydroxyphosphoryl]oxypropan-2-yl]oxy-hydroxyphosphoryl]oxyhexoxy-hydroxyphosphoryl]oxypropan-2-yl]oxy-hydroxyphosphoryl]oxymethyl]-3-[hydroxy(6-hydroxyhexoxy)phosphoryl]oxy-2-methylpropoxy]-hydroxyphosphoryl]oxypropoxy]-hydroxyphosphoryl]oxyhexoxy-hydroxyphosphoryl]oxypropoxy]-hydroxyphosphoryl]oxypentoxy-hydroxyphosphoryl]oxypropyl] heptyl hydrogen phosphate (CID 147680643) is [3-(2,2-dipropylpentoxy)-2-[5-[[3-(2,2-dipropylpentoxy)-2-[6-[[3-(2,2-dipropylpentoxy)-2-[[2-[[[1-(2,2-dipropylpentoxy)-3-[6-[[1-(2,2-dipropylpentoxy)-3-[6-[[1-(2,2-dipropylpentoxy)-3-[heptoxy(hydroxy)phosphoryl]oxypropan-2-yl]oxy-hydroxyphosphoryl]oxyhexoxy-hydroxyphosphoryl]oxypropan-2-yl]oxy-hydroxyphosphoryl]oxyhexoxy-hydroxyphosphoryl]oxypropan-2-yl]oxy-hydroxyphosphoryl]oxymethyl]-3-[hydroxy(6-hydroxyhexoxy)phosphoryl]oxy-2-methylpropoxy]-hydroxyphosphoryl]oxypropoxy]-hydroxyphosphoryl]oxyhexoxy-hydroxyphosphoryl]oxypropoxy]-hydroxyphosphoryl]oxypentoxy-hydroxyphosphoryl]oxypropyl] heptyl hydrogen phosphate.

What is the SMILES notation for [3-(2,2-dipropylpentoxy)-2-[5-[[3-(2,2-dipropylpentoxy)-2-[6-[[3-(2,2-dipropylpentoxy)-2-[[2-[[[1-(2,2-dipropylpentoxy)-3-[6-[[1-(2,2-dipropylpentoxy)-3-[6-[[1-(2,2-dipropylpentoxy)-3-[heptoxy(hydroxy)phosphoryl]oxypropan-2-yl]oxy-hydroxyphosphoryl]oxyhexoxy-hydroxyphosphoryl]oxypropan-2-yl]oxy-hydroxyphosphoryl]oxyhexoxy-hydroxyphosphoryl]oxypropan-2-yl]oxy-hydroxyphosphoryl]oxymethyl]-3-[hydroxy(6-hydroxyhexoxy)phosphoryl]oxy-2-methylpropoxy]-hydroxyphosphoryl]oxypropoxy]-hydroxyphosphoryl]oxyhexoxy-hydroxyphosphoryl]oxypropoxy]-hydroxyphosphoryl]oxypentoxy-hydroxyphosphoryl]oxypropyl] heptyl hydrogen phosphate?

The canonical SMILES for [3-(2,2-dipropylpentoxy)-2-[5-[[3-(2,2-dipropylpentoxy)-2-[6-[[3-(2,2-dipropylpentoxy)-2-[[2-[[[1-(2,2-dipropylpentoxy)-3-[6-[[1-(2,2-dipropylpentoxy)-3-[6-[[1-(2,2-dipropylpentoxy)-3-[heptoxy(hydroxy)phosphoryl]oxypropan-2-yl]oxy-hydroxyphosphoryl]oxyhexoxy-hydroxyphosphoryl]oxypropan-2-yl]oxy-hydroxyphosphoryl]oxyhexoxy-hydroxyphosphoryl]oxypropan-2-yl]oxy-hydroxyphosphoryl]oxymethyl]-3-[hydroxy(6-hydroxyhexoxy)phosphoryl]oxy-2-methylpropoxy]-hydroxyphosphoryl]oxypropoxy]-hydroxyphosphoryl]oxyhexoxy-hydroxyphosphoryl]oxypropoxy]-hydroxyphosphoryl]oxypentoxy-hydroxyphosphoryl]oxypropyl] heptyl hydrogen phosphate is CCCCCCCOP(=O)(O)OCC(COCC(CCC)(CCC)CCC)OP(=O)(O)OCCCCCCOP(=O)(O)OCC(COCC(CCC)(CCC)CCC)OP(=O)(O)OCCCCCCOP(=O)(O)OCC(COCC(CCC)(CCC)CCC)OP(=O)(O)OCC(C)(COP(=O)(O)OCCCCCCO)COP(=O)(O)OC(COCC(CCC)(CCC)CCC)COP(=O)(O)OCCCCCCOP(=O)(O)OC(COCC(CCC)(CCC)CCC)COP(=O)(O)OCCCCCOP(=O)(O)OC(COCC(CCC)(CCC)CCC)COP(=O)(O)OCCCCCCC.

What is the InChIKey of [3-(2,2-dipropylpentoxy)-2-[5-[[3-(2,2-dipropylpentoxy)-2-[6-[[3-(2,2-dipropylpentoxy)-2-[[2-[[[1-(2,2-dipropylpentoxy)-3-[6-[[1-(2,2-dipropylpentoxy)-3-[6-[[1-(2,2-dipropylpentoxy)-3-[heptoxy(hydroxy)phosphoryl]oxypropan-2-yl]oxy-hydroxyphosphoryl]oxyhexoxy-hydroxyphosphoryl]oxypropan-2-yl]oxy-hydroxyphosphoryl]oxyhexoxy-hydroxyphosphoryl]oxypropan-2-yl]oxy-hydroxyphosphoryl]oxymethyl]-3-[hydroxy(6-hydroxyhexoxy)phosphoryl]oxy-2-methylpropoxy]-hydroxyphosphoryl]oxypropoxy]-hydroxyphosphoryl]oxyhexoxy-hydroxyphosphoryl]oxypropoxy]-hydroxyphosphoryl]oxypentoxy-hydroxyphosphoryl]oxypropyl] heptyl hydrogen phosphate?

The InChIKey is ILEQEJBXYMEOEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C132H279O59P13/c1-22-42-44-47-58-88-166-192(134,135)177-105-120(99-160-114-127(69-24-3,70-25-4)71-26-5)186-199(148,149)173-95-64-53-50-61-90-168-194(138,139)179-106-121(100-161-115-128(72-27-6,73-28-7)74-29-8)187-200(150,151)174-96-65-54-51-62-91-169-195(140,141)181-109-124(103-164-118-131(81-36-15,82-37-16)83-38-17)190-203(156,157)184-112-126(21,111-183-198(146,147)172-93-60-49-46-57-87-133)113-185-204(158,159)191-125(104-165-119-132(84-39-18,85-40-19)86-41-20)110-182-196(142,143)170-92-63-52-55-66-97-175-201(152,153)188-122(101-162-116-129(75-30-9,76-31-10)77-32-11)108-180-197(144,145)171-94-67-56-68-98-176-202(154,155)189-123(102-163-117-130(78-33-12,79-34-13)80-35-14)107-178-193(136,137)167-89-59-48-45-43-23-2/h120-125,133H,22-119H2,1-21H3,(H,134,135)(H,136,137)(H,138,139)(H,140,141)(H,142,143)(H,144,145)(H,146,147)(H,148,149)(H,150,151)(H,152,153)(H,154,155)(H,156,157)(H,158,159).

What are the key properties of [3-(2,2-dipropylpentoxy)-2-[5-[[3-(2,2-dipropylpentoxy)-2-[6-[[3-(2,2-dipropylpentoxy)-2-[[2-[[[1-(2,2-dipropylpentoxy)-3-[6-[[1-(2,2-dipropylpentoxy)-3-[6-[[1-(2,2-dipropylpentoxy)-3-[heptoxy(hydroxy)phosphoryl]oxypropan-2-yl]oxy-hydroxyphosphoryl]oxyhexoxy-hydroxyphosphoryl]oxypropan-2-yl]oxy-hydroxyphosphoryl]oxyhexoxy-hydroxyphosphoryl]oxypropan-2-yl]oxy-hydroxyphosphoryl]oxymethyl]-3-[hydroxy(6-hydroxyhexoxy)phosphoryl]oxy-2-methylpropoxy]-hydroxyphosphoryl]oxypropoxy]-hydroxyphosphoryl]oxyhexoxy-hydroxyphosphoryl]oxypropoxy]-hydroxyphosphoryl]oxypentoxy-hydroxyphosphoryl]oxypropyl] heptyl hydrogen phosphate?

[3-(2,2-dipropylpentoxy)-2-[5-[[3-(2,2-dipropylpentoxy)-2-[6-[[3-(2,2-dipropylpentoxy)-2-[[2-[[[1-(2,2-dipropylpentoxy)-3-[6-[[1-(2,2-dipropylpentoxy)-3-[6-[[1-(2,2-dipropylpentoxy)-3-[heptoxy(hydroxy)phosphoryl]oxypropan-2-yl]oxy-hydroxyphosphoryl]oxyhexoxy-hydroxyphosphoryl]oxypropan-2-yl]oxy-hydroxyphosphoryl]oxyhexoxy-hydroxyphosphoryl]oxypropan-2-yl]oxy-hydroxyphosphoryl]oxymethyl]-3-[hydroxy(6-hydroxyhexoxy)phosphoryl]oxy-2-methylpropoxy]-hydroxyphosphoryl]oxypropoxy]-hydroxyphosphoryl]oxyhexoxy-hydroxyphosphoryl]oxypropoxy]-hydroxyphosphoryl]oxypentoxy-hydroxyphosphoryl]oxypropyl] heptyl hydrogen phosphate has a molecular weight of 3213.29 g/mol, XLogP of 36.71, 155 rotatable bonds, 14 hydrogen bond donors, and 46 hydrogen bond acceptors.

Where does this data come from?

All data for [3-(2,2-dipropylpentoxy)-2-[5-[[3-(2,2-dipropylpentoxy)-2-[6-[[3-(2,2-dipropylpentoxy)-2-[[2-[[[1-(2,2-dipropylpentoxy)-3-[6-[[1-(2,2-dipropylpentoxy)-3-[6-[[1-(2,2-dipropylpentoxy)-3-[heptoxy(hydroxy)phosphoryl]oxypropan-2-yl]oxy-hydroxyphosphoryl]oxyhexoxy-hydroxyphosphoryl]oxypropan-2-yl]oxy-hydroxyphosphoryl]oxyhexoxy-hydroxyphosphoryl]oxypropan-2-yl]oxy-hydroxyphosphoryl]oxymethyl]-3-[hydroxy(6-hydroxyhexoxy)phosphoryl]oxy-2-methylpropoxy]-hydroxyphosphoryl]oxypropoxy]-hydroxyphosphoryl]oxyhexoxy-hydroxyphosphoryl]oxypropoxy]-hydroxyphosphoryl]oxypentoxy-hydroxyphosphoryl]oxypropyl] heptyl hydrogen phosphate is sourced from PubChem (CID 147680643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).