[1-[butoxy(hydroxy)phosphoryl]oxy-3-(2,2-dipropylpentoxy)propan-2-yl] [2-[[[1-(2,2-dipropylpentoxy)-3-[3-[[1-(2,2-dipropylpentoxy)-3-[ethoxy(hydroxy)phosphoryl]oxypropan-2-yl]oxy-hydroxyphosphoryl]oxypropoxy-hydroxyphosphoryl]oxypropan-2-yl]oxy-hydroxyphosphoryl]oxymethyl]-3-[hydroxy(6-hydroxyhexoxy)phosphoryl]oxy-2-methylpropyl] hydrogen phosphate

C62H133O32P7 — CID 146870764

About [1-[butoxy(hydroxy)phosphoryl]oxy-3-(2,2-dipropylpentoxy)propan-2-yl] [2-[[[1-(2,2-dipropylpentoxy)-3-[3-[[1-(2,2-dipropylpentoxy)-3-[ethoxy(hydroxy)phosphoryl]oxypropan-2-yl]oxy-hydroxyphosphoryl]oxypropoxy-hydroxyphosphoryl]oxypropan-2-yl]oxy-hydroxyphosphoryl]oxymethyl]-3-[hydroxy(6-hydroxyhexoxy)phosphoryl]oxy-2-methylpropyl] hydrogen phosphate

[1-[butoxy(hydroxy)phosphoryl]oxy-3-(2,2-dipropylpentoxy)propan-2-yl] [2-[[[1-(2,2-dipropylpentoxy)-3-[3-[[1-(2,2-dipropylpentoxy)-3-[ethoxy(hydroxy)phosphoryl]oxypropan-2-yl]oxy-hydroxyphosphoryl]oxypropoxy-hydroxyphosphoryl]oxypropan-2-yl]oxy-hydroxyphosphoryl]oxymethyl]-3-[hydroxy(6-hydroxyhexoxy)phosphoryl]oxy-2-methylpropyl] hydrogen phosphate (PubChem CID 146870764) has the molecular formula C62H133O32P7 and a molecular weight of 1607.53 g/mol. Its IUPAC name is [1-[butoxy(hydroxy)phosphoryl]oxy-3-(2,2-dipropylpentoxy)propan-2-yl] [2-[[[1-(2,2-dipropylpentoxy)-3-[3-[[1-(2,2-dipropylpentoxy)-3-[ethoxy(hydroxy)phosphoryl]oxypropan-2-yl]oxy-hydroxyphosphoryl]oxypropoxy-hydroxyphosphoryl]oxypropan-2-yl]oxy-hydroxyphosphoryl]oxymethyl]-3-[hydroxy(6-hydroxyhexoxy)phosphoryl]oxy-2-methylpropyl] hydrogen phosphate.

Molecular Properties

• Compound Name: [1-[butoxy(hydroxy)phosphoryl]oxy-3-(2,2-dipropylpentoxy)propan-2-yl] [2-[[[1-(2,2-dipropylpentoxy)-3-[3-[[1-(2,2-dipropylpentoxy)-3-[ethoxy(hydroxy)phosphoryl]oxypropan-2-yl]oxy-hydroxyphosphoryl]oxypropoxy-hydroxyphosphoryl]oxypropan-2-yl]oxy-hydroxyphosphoryl]oxymethyl]-3-[hydroxy(6-hydroxyhexoxy)phosphoryl]oxy-2-methylpropyl] hydrogen phosphate
• PubChem CID: 146870764
• Molecular Formula: C62H133O32P7
• Molecular Weight: 1607.53 g/mol
• Exact Mass: 1606.69
• IUPAC Name: [1-[butoxy(hydroxy)phosphoryl]oxy-3-(2,2-dipropylpentoxy)propan-2-yl] [2-[[[1-(2,2-dipropylpentoxy)-3-[3-[[1-(2,2-dipropylpentoxy)-3-[ethoxy(hydroxy)phosphoryl]oxypropan-2-yl]oxy-hydroxyphosphoryl]oxypropoxy-hydroxyphosphoryl]oxypropan-2-yl]oxy-hydroxyphosphoryl]oxymethyl]-3-[hydroxy(6-hydroxyhexoxy)phosphoryl]oxy-2-methylpropyl] hydrogen phosphate
• SMILES: CCCCOP(=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)OCCCOP(=O)(O)OC(COCC(CCC)(CCC)CCC)COP(=O)(O)OCC
• InChI: InChI=1S/C62H133O32P7/c1-13-24-40-82-96(66,67)87-48-57(45-79-54-61(33-17-5,34-18-6)35-19-7)93-100(74,75)90-51-59(12,50-89-98(70,71)83-41-28-26-25-27-39-63)52-91-101(76,77)94-58(46-80-55-62(36-20-8,37-21-9)38-22-10)49-88-97(68,69)84-42-29-43-85-99(72,73)92-56(47-86-95(64,65)81-23-11)44-78-53-60(30-14-2,31-15-3)32-16-4/h56-58,63H,13-55H2,1-12H3,(H,64,65)(H,66,67)(H,68,69)(H,70,71)(H,72,73)(H,74,75)(H,76,77)
• InChIKey: ISCQNESRPCPWKP-UHFFFAOYSA-N
• XLogP: 16.01
• TPSA: 438.24 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 25
• Rotatable Bonds: 73
• Heavy Atoms: 101
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1607.53
LogP ≤ 5	16.01
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	25

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 [1-[butoxy(hydroxy)phosphoryl]oxy-3-(2,2-dipropylpentoxy)propan-2-yl] [2-[[[1-(2,2-dipropylpentoxy)-3-[3-[[1-(2,2-dipropylpentoxy)-3-[ethoxy(hydroxy)phosphoryl]oxypropan-2-yl]oxy-hydroxyphosphoryl]oxypropoxy-hydroxyphosphoryl]oxypropan-2-yl]oxy-hydroxyphosphoryl]oxymethyl]-3-[hydroxy(6-hydroxyhexoxy)phosphoryl]oxy-2-methylpropyl] hydrogen phosphate?

The IUPAC name of [1-[butoxy(hydroxy)phosphoryl]oxy-3-(2,2-dipropylpentoxy)propan-2-yl] [2-[[[1-(2,2-dipropylpentoxy)-3-[3-[[1-(2,2-dipropylpentoxy)-3-[ethoxy(hydroxy)phosphoryl]oxypropan-2-yl]oxy-hydroxyphosphoryl]oxypropoxy-hydroxyphosphoryl]oxypropan-2-yl]oxy-hydroxyphosphoryl]oxymethyl]-3-[hydroxy(6-hydroxyhexoxy)phosphoryl]oxy-2-methylpropyl] hydrogen phosphate (CID 146870764) is [1-[butoxy(hydroxy)phosphoryl]oxy-3-(2,2-dipropylpentoxy)propan-2-yl] [2-[[[1-(2,2-dipropylpentoxy)-3-[3-[[1-(2,2-dipropylpentoxy)-3-[ethoxy(hydroxy)phosphoryl]oxypropan-2-yl]oxy-hydroxyphosphoryl]oxypropoxy-hydroxyphosphoryl]oxypropan-2-yl]oxy-hydroxyphosphoryl]oxymethyl]-3-[hydroxy(6-hydroxyhexoxy)phosphoryl]oxy-2-methylpropyl] hydrogen phosphate.

What is the SMILES notation for [1-[butoxy(hydroxy)phosphoryl]oxy-3-(2,2-dipropylpentoxy)propan-2-yl] [2-[[[1-(2,2-dipropylpentoxy)-3-[3-[[1-(2,2-dipropylpentoxy)-3-[ethoxy(hydroxy)phosphoryl]oxypropan-2-yl]oxy-hydroxyphosphoryl]oxypropoxy-hydroxyphosphoryl]oxypropan-2-yl]oxy-hydroxyphosphoryl]oxymethyl]-3-[hydroxy(6-hydroxyhexoxy)phosphoryl]oxy-2-methylpropyl] hydrogen phosphate?

The canonical SMILES for [1-[butoxy(hydroxy)phosphoryl]oxy-3-(2,2-dipropylpentoxy)propan-2-yl] [2-[[[1-(2,2-dipropylpentoxy)-3-[3-[[1-(2,2-dipropylpentoxy)-3-[ethoxy(hydroxy)phosphoryl]oxypropan-2-yl]oxy-hydroxyphosphoryl]oxypropoxy-hydroxyphosphoryl]oxypropan-2-yl]oxy-hydroxyphosphoryl]oxymethyl]-3-[hydroxy(6-hydroxyhexoxy)phosphoryl]oxy-2-methylpropyl] hydrogen phosphate is CCCCOP(=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)OCCCOP(=O)(O)OC(COCC(CCC)(CCC)CCC)COP(=O)(O)OCC.

What is the InChIKey of [1-[butoxy(hydroxy)phosphoryl]oxy-3-(2,2-dipropylpentoxy)propan-2-yl] [2-[[[1-(2,2-dipropylpentoxy)-3-[3-[[1-(2,2-dipropylpentoxy)-3-[ethoxy(hydroxy)phosphoryl]oxypropan-2-yl]oxy-hydroxyphosphoryl]oxypropoxy-hydroxyphosphoryl]oxypropan-2-yl]oxy-hydroxyphosphoryl]oxymethyl]-3-[hydroxy(6-hydroxyhexoxy)phosphoryl]oxy-2-methylpropyl] hydrogen phosphate?

The InChIKey is ISCQNESRPCPWKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H133O32P7/c1-13-24-40-82-96(66,67)87-48-57(45-79-54-61(33-17-5,34-18-6)35-19-7)93-100(74,75)90-51-59(12,50-89-98(70,71)83-41-28-26-25-27-39-63)52-91-101(76,77)94-58(46-80-55-62(36-20-8,37-21-9)38-22-10)49-88-97(68,69)84-42-29-43-85-99(72,73)92-56(47-86-95(64,65)81-23-11)44-78-53-60(30-14-2,31-15-3)32-16-4/h56-58,63H,13-55H2,1-12H3,(H,64,65)(H,66,67)(H,68,69)(H,70,71)(H,72,73)(H,74,75)(H,76,77).

What are the key properties of [1-[butoxy(hydroxy)phosphoryl]oxy-3-(2,2-dipropylpentoxy)propan-2-yl] [2-[[[1-(2,2-dipropylpentoxy)-3-[3-[[1-(2,2-dipropylpentoxy)-3-[ethoxy(hydroxy)phosphoryl]oxypropan-2-yl]oxy-hydroxyphosphoryl]oxypropoxy-hydroxyphosphoryl]oxypropan-2-yl]oxy-hydroxyphosphoryl]oxymethyl]-3-[hydroxy(6-hydroxyhexoxy)phosphoryl]oxy-2-methylpropyl] hydrogen phosphate?

[1-[butoxy(hydroxy)phosphoryl]oxy-3-(2,2-dipropylpentoxy)propan-2-yl] [2-[[[1-(2,2-dipropylpentoxy)-3-[3-[[1-(2,2-dipropylpentoxy)-3-[ethoxy(hydroxy)phosphoryl]oxypropan-2-yl]oxy-hydroxyphosphoryl]oxypropoxy-hydroxyphosphoryl]oxypropan-2-yl]oxy-hydroxyphosphoryl]oxymethyl]-3-[hydroxy(6-hydroxyhexoxy)phosphoryl]oxy-2-methylpropyl] hydrogen phosphate has a molecular weight of 1607.53 g/mol, XLogP of 16.01, 73 rotatable bonds, 8 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for [1-[butoxy(hydroxy)phosphoryl]oxy-3-(2,2-dipropylpentoxy)propan-2-yl] [2-[[[1-(2,2-dipropylpentoxy)-3-[3-[[1-(2,2-dipropylpentoxy)-3-[ethoxy(hydroxy)phosphoryl]oxypropan-2-yl]oxy-hydroxyphosphoryl]oxypropoxy-hydroxyphosphoryl]oxypropan-2-yl]oxy-hydroxyphosphoryl]oxymethyl]-3-[hydroxy(6-hydroxyhexoxy)phosphoryl]oxy-2-methylpropyl] hydrogen phosphate is sourced from PubChem (CID 146870764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).