[1-[5-[(2R,4R,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentanoyl]piperidin-4-yl] 3-[2,2-bis[3-[[1-[5-[(2R,4R,5R)-4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxypentanoyl]piperidin-4-yl]oxy-hydroxyphosphoryl]oxypropoxymethyl]-3-methoxypropoxy]propyl hydrogen phosphate;2-methylpropane

C71H133N4O35P3 — CID 158548599

About [1-[5-[(2R,4R,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentanoyl]piperidin-4-yl] 3-[2,2-bis[3-[[1-[5-[(2R,4R,5R)-4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxypentanoyl]piperidin-4-yl]oxy-hydroxyphosphoryl]oxypropoxymethyl]-3-methoxypropoxy]propyl hydrogen phosphate;2-methylpropane

[1-[5-[(2R,4R,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentanoyl]piperidin-4-yl] 3-[2,2-bis[3-[[1-[5-[(2R,4R,5R)-4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxypentanoyl]piperidin-4-yl]oxy-hydroxyphosphoryl]oxypropoxymethyl]-3-methoxypropoxy]propyl hydrogen phosphate;2-methylpropane (PubChem CID 158548599) has the molecular formula C71H133N4O35P3 and a molecular weight of 1695.76 g/mol. Its IUPAC name is [1-[5-[(2R,4R,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentanoyl]piperidin-4-yl] 3-[2,2-bis[3-[[1-[5-[(2R,4R,5R)-4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxypentanoyl]piperidin-4-yl]oxy-hydroxyphosphoryl]oxypropoxymethyl]-3-methoxypropoxy]propyl hydrogen phosphate;2-methylpropane.

Molecular Properties

• Compound Name: [1-[5-[(2R,4R,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentanoyl]piperidin-4-yl] 3-[2,2-bis[3-[[1-[5-[(2R,4R,5R)-4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxypentanoyl]piperidin-4-yl]oxy-hydroxyphosphoryl]oxypropoxymethyl]-3-methoxypropoxy]propyl hydrogen phosphate;2-methylpropane
• PubChem CID: 158548599
• Molecular Formula: C71H133N4O35P3
• Molecular Weight: 1695.76 g/mol
• Exact Mass: 1694.80
• IUPAC Name: [1-[5-[(2R,4R,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentanoyl]piperidin-4-yl] 3-[2,2-bis[3-[[1-[5-[(2R,4R,5R)-4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxypentanoyl]piperidin-4-yl]oxy-hydroxyphosphoryl]oxypropoxymethyl]-3-methoxypropoxy]propyl hydrogen phosphate;2-methylpropane
• SMILES: CC(C)C.COCC(COCCCOP(=O)(O)OC1CCN(C(=O)CCCCO[C@@H]2OC(CO)[C@H](O)[C@H](O)C2C)CC1)(COCCCOP(=O)(O)OC1CCN(C(=O)CCCCO[C@@H]2OC(CO)[C@H](O)[C@H](O)C2C)CC1)COCCCOP(=O)(O)OC1CCN(C(=O)CCCCO[C@@H]2OC(CO)[C@H](O)[C@H](O)C2NC(C)=O)CC1
• InChI: InChI=1S/C67H123N4O35P3.C4H10/c1-45-58(79)60(81)51(38-72)101-64(45)95-32-8-5-14-54(76)69-23-17-48(18-24-69)104-107(85,86)98-35-11-29-92-42-67(41-91-4,43-93-30-12-36-99-108(87,88)105-49-19-25-70(26-20-49)55(77)15-6-9-33-96-65-46(2)59(80)61(82)52(39-73)102-65)44-94-31-13-37-100-109(89,90)106-50-21-27-71(28-22-50)56(78)16-7-10-34-97-66-57(68-47(3)75)63(84)62(83)53(40-74)103-66;1-4(2)3/h45-46,48-53,57-66,72-74,79-84H,5-44H2,1-4H3,(H,68,75)(H,85,86)(H,87,88)(H,89,90);4H,1-3H3/t45?,46?,51?,52?,53?,57?,58-,59-,60+,61+,62+,63-,64-,65-,66-,67?;/m1./s1
• InChIKey: HPKZGLJKPOVJDP-LUQBPACYSA-N
• XLogP: 1.53
• TPSA: 531.68 Ų
• H-Bond Donors: 13
• H-Bond Acceptors: 32
• Rotatable Bonds: 51
• Heavy Atoms: 113
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1695.76
LogP ≤ 5	1.53
H-Bond Donors ≤ 5	13
H-Bond Acceptors ≤ 10	32

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-[5-[(2R,4R,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentanoyl]piperidin-4-yl] 3-[2,2-bis[3-[[1-[5-[(2R,4R,5R)-4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxypentanoyl]piperidin-4-yl]oxy-hydroxyphosphoryl]oxypropoxymethyl]-3-methoxypropoxy]propyl hydrogen phosphate;2-methylpropane?

The IUPAC name of [1-[5-[(2R,4R,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentanoyl]piperidin-4-yl] 3-[2,2-bis[3-[[1-[5-[(2R,4R,5R)-4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxypentanoyl]piperidin-4-yl]oxy-hydroxyphosphoryl]oxypropoxymethyl]-3-methoxypropoxy]propyl hydrogen phosphate;2-methylpropane (CID 158548599) is [1-[5-[(2R,4R,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentanoyl]piperidin-4-yl] 3-[2,2-bis[3-[[1-[5-[(2R,4R,5R)-4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxypentanoyl]piperidin-4-yl]oxy-hydroxyphosphoryl]oxypropoxymethyl]-3-methoxypropoxy]propyl hydrogen phosphate;2-methylpropane.

What is the SMILES notation for [1-[5-[(2R,4R,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentanoyl]piperidin-4-yl] 3-[2,2-bis[3-[[1-[5-[(2R,4R,5R)-4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxypentanoyl]piperidin-4-yl]oxy-hydroxyphosphoryl]oxypropoxymethyl]-3-methoxypropoxy]propyl hydrogen phosphate;2-methylpropane?

The canonical SMILES for [1-[5-[(2R,4R,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentanoyl]piperidin-4-yl] 3-[2,2-bis[3-[[1-[5-[(2R,4R,5R)-4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxypentanoyl]piperidin-4-yl]oxy-hydroxyphosphoryl]oxypropoxymethyl]-3-methoxypropoxy]propyl hydrogen phosphate;2-methylpropane is CC(C)C.COCC(COCCCOP(=O)(O)OC1CCN(C(=O)CCCCO[C@@H]2OC(CO)[C@H](O)[C@H](O)C2C)CC1)(COCCCOP(=O)(O)OC1CCN(C(=O)CCCCO[C@@H]2OC(CO)[C@H](O)[C@H](O)C2C)CC1)COCCCOP(=O)(O)OC1CCN(C(=O)CCCCO[C@@H]2OC(CO)[C@H](O)[C@H](O)C2NC(C)=O)CC1.

What is the InChIKey of [1-[5-[(2R,4R,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentanoyl]piperidin-4-yl] 3-[2,2-bis[3-[[1-[5-[(2R,4R,5R)-4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxypentanoyl]piperidin-4-yl]oxy-hydroxyphosphoryl]oxypropoxymethyl]-3-methoxypropoxy]propyl hydrogen phosphate;2-methylpropane?

The InChIKey is HPKZGLJKPOVJDP-LUQBPACYSA-N. The full InChI is InChI=1S/C67H123N4O35P3.C4H10/c1-45-58(79)60(81)51(38-72)101-64(45)95-32-8-5-14-54(76)69-23-17-48(18-24-69)104-107(85,86)98-35-11-29-92-42-67(41-91-4,43-93-30-12-36-99-108(87,88)105-49-19-25-70(26-20-49)55(77)15-6-9-33-96-65-46(2)59(80)61(82)52(39-73)102-65)44-94-31-13-37-100-109(89,90)106-50-21-27-71(28-22-50)56(78)16-7-10-34-97-66-57(68-47(3)75)63(84)62(83)53(40-74)103-66;1-4(2)3/h45-46,48-53,57-66,72-74,79-84H,5-44H2,1-4H3,(H,68,75)(H,85,86)(H,87,88)(H,89,90);4H,1-3H3/t45?,46?,51?,52?,53?,57?,58-,59-,60+,61+,62+,63-,64-,65-,66-,67?;/m1./s1.

What are the key properties of [1-[5-[(2R,4R,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentanoyl]piperidin-4-yl] 3-[2,2-bis[3-[[1-[5-[(2R,4R,5R)-4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxypentanoyl]piperidin-4-yl]oxy-hydroxyphosphoryl]oxypropoxymethyl]-3-methoxypropoxy]propyl hydrogen phosphate;2-methylpropane?

[1-[5-[(2R,4R,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentanoyl]piperidin-4-yl] 3-[2,2-bis[3-[[1-[5-[(2R,4R,5R)-4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxypentanoyl]piperidin-4-yl]oxy-hydroxyphosphoryl]oxypropoxymethyl]-3-methoxypropoxy]propyl hydrogen phosphate;2-methylpropane has a molecular weight of 1695.76 g/mol, XLogP of 1.53, 51 rotatable bonds, 13 hydrogen bond donors, and 32 hydrogen bond acceptors.

Where does this data come from?

All data for [1-[5-[(2R,4R,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentanoyl]piperidin-4-yl] 3-[2,2-bis[3-[[1-[5-[(2R,4R,5R)-4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxypentanoyl]piperidin-4-yl]oxy-hydroxyphosphoryl]oxypropoxymethyl]-3-methoxypropoxy]propyl hydrogen phosphate;2-methylpropane is sourced from PubChem (CID 158548599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).