[2-[3-[6-[(2R,4R,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexoxy-oxidophosphoryl]oxypropoxymethyl]-3-[3-[6-[(2R,4R,5R)-4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxyhexoxy-oxidophosphoryl]oxypropoxy]-2-[3-[6-[(2R,4R,5R)-4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxyhexoxy-oxidophosphoryl]oxypropoxymethyl]propyl] 3-[2-(3-propan-2-yloxypropoxymethyl)butoxy]propyl phosphate

C68H131NO38P4-4 — CID 147340011

About [2-[3-[6-[(2R,4R,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexoxy-oxidophosphoryl]oxypropoxymethyl]-3-[3-[6-[(2R,4R,5R)-4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxyhexoxy-oxidophosphoryl]oxypropoxy]-2-[3-[6-[(2R,4R,5R)-4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxyhexoxy-oxidophosphoryl]oxypropoxymethyl]propyl] 3-[2-(3-propan-2-yloxypropoxymethyl)butoxy]propyl phosphate

[2-[3-[6-[(2R,4R,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexoxy-oxidophosphoryl]oxypropoxymethyl]-3-[3-[6-[(2R,4R,5R)-4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxyhexoxy-oxidophosphoryl]oxypropoxy]-2-[3-[6-[(2R,4R,5R)-4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxyhexoxy-oxidophosphoryl]oxypropoxymethyl]propyl] 3-[2-(3-propan-2-yloxypropoxymethyl)butoxy]propyl phosphate (PubChem CID 147340011) has the molecular formula C68H131NO38P4-4 and a molecular weight of 1694.66 g/mol. Its IUPAC name is [2-[3-[6-[(2R,4R,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexoxy-oxidophosphoryl]oxypropoxymethyl]-3-[3-[6-[(2R,4R,5R)-4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxyhexoxy-oxidophosphoryl]oxypropoxy]-2-[3-[6-[(2R,4R,5R)-4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxyhexoxy-oxidophosphoryl]oxypropoxymethyl]propyl] 3-[2-(3-propan-2-yloxypropoxymethyl)butoxy]propyl phosphate.

Molecular Properties

• Compound Name: [2-[3-[6-[(2R,4R,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexoxy-oxidophosphoryl]oxypropoxymethyl]-3-[3-[6-[(2R,4R,5R)-4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxyhexoxy-oxidophosphoryl]oxypropoxy]-2-[3-[6-[(2R,4R,5R)-4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxyhexoxy-oxidophosphoryl]oxypropoxymethyl]propyl] 3-[2-(3-propan-2-yloxypropoxymethyl)butoxy]propyl phosphate
• PubChem CID: 147340011
• Molecular Formula: C68H131NO38P4-4
• Molecular Weight: 1694.66 g/mol
• Exact Mass: 1693.73
• IUPAC Name: [2-[3-[6-[(2R,4R,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexoxy-oxidophosphoryl]oxypropoxymethyl]-3-[3-[6-[(2R,4R,5R)-4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxyhexoxy-oxidophosphoryl]oxypropoxy]-2-[3-[6-[(2R,4R,5R)-4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxyhexoxy-oxidophosphoryl]oxypropoxymethyl]propyl] 3-[2-(3-propan-2-yloxypropoxymethyl)butoxy]propyl phosphate
• SMILES: CCC(COCCCOC(C)C)COCCCOP(=O)([O-])OCC(COCCCOP(=O)([O-])OCCCCCCO[C@@H]1OC(CO)[C@H](O)[C@H](O)C1C)(COCCCOP(=O)([O-])OCCCCCCO[C@@H]1OC(CO)[C@H](O)[C@H](O)C1C)COCCCOP(=O)([O-])OCCCCCCO[C@@H]1OC(CO)[C@H](O)[C@H](O)C1NC(C)=O
• InChI: InChI=1S/C68H135NO38P4/c1-7-54(44-88-25-20-33-93-50(2)3)45-89-26-21-37-103-111(86,87)104-49-68(46-90-27-22-38-100-108(80,81)97-34-17-11-8-14-30-94-65-51(4)59(74)61(76)55(41-70)105-65,47-91-28-23-39-101-109(82,83)98-35-18-12-9-15-31-95-66-52(5)60(75)62(77)56(42-71)106-66)48-92-29-24-40-102-110(84,85)99-36-19-13-10-16-32-96-67-58(69-53(6)73)64(79)63(78)57(43-72)107-67/h50-52,54-67,70-72,74-79H,7-49H2,1-6H3,(H,69,73)(H,80,81)(H,82,83)(H,84,85)(H,86,87)/p-4/t51?,52?,54?,55?,56?,57?,58?,59-,60-,61+,62+,63+,64-,65-,66-,67-,68?/m1/s1
• InChIKey: DDHFTCOVHGJSGC-DOCZQIRGSA-J
• XLogP: 1.29
• TPSA: 556.29 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 38
• Rotatable Bonds: 70
• Heavy Atoms: 111
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1694.66
LogP ≤ 5	1.29
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	38

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-[3-[6-[(2R,4R,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexoxy-oxidophosphoryl]oxypropoxymethyl]-3-[3-[6-[(2R,4R,5R)-4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxyhexoxy-oxidophosphoryl]oxypropoxy]-2-[3-[6-[(2R,4R,5R)-4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxyhexoxy-oxidophosphoryl]oxypropoxymethyl]propyl] 3-[2-(3-propan-2-yloxypropoxymethyl)butoxy]propyl phosphate?

The IUPAC name of [2-[3-[6-[(2R,4R,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexoxy-oxidophosphoryl]oxypropoxymethyl]-3-[3-[6-[(2R,4R,5R)-4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxyhexoxy-oxidophosphoryl]oxypropoxy]-2-[3-[6-[(2R,4R,5R)-4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxyhexoxy-oxidophosphoryl]oxypropoxymethyl]propyl] 3-[2-(3-propan-2-yloxypropoxymethyl)butoxy]propyl phosphate (CID 147340011) is [2-[3-[6-[(2R,4R,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexoxy-oxidophosphoryl]oxypropoxymethyl]-3-[3-[6-[(2R,4R,5R)-4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxyhexoxy-oxidophosphoryl]oxypropoxy]-2-[3-[6-[(2R,4R,5R)-4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxyhexoxy-oxidophosphoryl]oxypropoxymethyl]propyl] 3-[2-(3-propan-2-yloxypropoxymethyl)butoxy]propyl phosphate.

What is the SMILES notation for [2-[3-[6-[(2R,4R,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexoxy-oxidophosphoryl]oxypropoxymethyl]-3-[3-[6-[(2R,4R,5R)-4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxyhexoxy-oxidophosphoryl]oxypropoxy]-2-[3-[6-[(2R,4R,5R)-4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxyhexoxy-oxidophosphoryl]oxypropoxymethyl]propyl] 3-[2-(3-propan-2-yloxypropoxymethyl)butoxy]propyl phosphate?

The canonical SMILES for [2-[3-[6-[(2R,4R,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexoxy-oxidophosphoryl]oxypropoxymethyl]-3-[3-[6-[(2R,4R,5R)-4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxyhexoxy-oxidophosphoryl]oxypropoxy]-2-[3-[6-[(2R,4R,5R)-4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxyhexoxy-oxidophosphoryl]oxypropoxymethyl]propyl] 3-[2-(3-propan-2-yloxypropoxymethyl)butoxy]propyl phosphate is CCC(COCCCOC(C)C)COCCCOP(=O)([O-])OCC(COCCCOP(=O)([O-])OCCCCCCO[C@@H]1OC(CO)[C@H](O)[C@H](O)C1C)(COCCCOP(=O)([O-])OCCCCCCO[C@@H]1OC(CO)[C@H](O)[C@H](O)C1C)COCCCOP(=O)([O-])OCCCCCCO[C@@H]1OC(CO)[C@H](O)[C@H](O)C1NC(C)=O.

What is the InChIKey of [2-[3-[6-[(2R,4R,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexoxy-oxidophosphoryl]oxypropoxymethyl]-3-[3-[6-[(2R,4R,5R)-4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxyhexoxy-oxidophosphoryl]oxypropoxy]-2-[3-[6-[(2R,4R,5R)-4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxyhexoxy-oxidophosphoryl]oxypropoxymethyl]propyl] 3-[2-(3-propan-2-yloxypropoxymethyl)butoxy]propyl phosphate?

The InChIKey is DDHFTCOVHGJSGC-DOCZQIRGSA-J. The full InChI is InChI=1S/C68H135NO38P4/c1-7-54(44-88-25-20-33-93-50(2)3)45-89-26-21-37-103-111(86,87)104-49-68(46-90-27-22-38-100-108(80,81)97-34-17-11-8-14-30-94-65-51(4)59(74)61(76)55(41-70)105-65,47-91-28-23-39-101-109(82,83)98-35-18-12-9-15-31-95-66-52(5)60(75)62(77)56(42-71)106-66)48-92-29-24-40-102-110(84,85)99-36-19-13-10-16-32-96-67-58(69-53(6)73)64(79)63(78)57(43-72)107-67/h50-52,54-67,70-72,74-79H,7-49H2,1-6H3,(H,69,73)(H,80,81)(H,82,83)(H,84,85)(H,86,87)/p-4/t51?,52?,54?,55?,56?,57?,58?,59-,60-,61+,62+,63+,64-,65-,66-,67-,68?/m1/s1.

What are the key properties of [2-[3-[6-[(2R,4R,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexoxy-oxidophosphoryl]oxypropoxymethyl]-3-[3-[6-[(2R,4R,5R)-4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxyhexoxy-oxidophosphoryl]oxypropoxy]-2-[3-[6-[(2R,4R,5R)-4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxyhexoxy-oxidophosphoryl]oxypropoxymethyl]propyl] 3-[2-(3-propan-2-yloxypropoxymethyl)butoxy]propyl phosphate?

[2-[3-[6-[(2R,4R,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexoxy-oxidophosphoryl]oxypropoxymethyl]-3-[3-[6-[(2R,4R,5R)-4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxyhexoxy-oxidophosphoryl]oxypropoxy]-2-[3-[6-[(2R,4R,5R)-4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxyhexoxy-oxidophosphoryl]oxypropoxymethyl]propyl] 3-[2-(3-propan-2-yloxypropoxymethyl)butoxy]propyl phosphate has a molecular weight of 1694.66 g/mol, XLogP of 1.29, 70 rotatable bonds, 10 hydrogen bond donors, and 38 hydrogen bond acceptors.

Where does this data come from?

All data for [2-[3-[6-[(2R,4R,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexoxy-oxidophosphoryl]oxypropoxymethyl]-3-[3-[6-[(2R,4R,5R)-4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxyhexoxy-oxidophosphoryl]oxypropoxy]-2-[3-[6-[(2R,4R,5R)-4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxyhexoxy-oxidophosphoryl]oxypropoxymethyl]propyl] 3-[2-(3-propan-2-yloxypropoxymethyl)butoxy]propyl phosphate is sourced from PubChem (CID 147340011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).