[(2R)-2-[[[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]propoxy]-oxidophosphoryl]oxymethyl]-5-methyloxolan-3-yl] methyl phosphate;methanol

C62H119NO41P5-5 — CID 157336934

About [(2R)-2-[[[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]propoxy]-oxidophosphoryl]oxymethyl]-5-methyloxolan-3-yl] methyl phosphate;methanol

[(2R)-2-[[[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]propoxy]-oxidophosphoryl]oxymethyl]-5-methyloxolan-3-yl] methyl phosphate;methanol (PubChem CID 157336934) has the molecular formula C62H119NO41P5-5 and a molecular weight of 1689.47 g/mol. Its IUPAC name is [(2R)-2-[[[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]propoxy]-oxidophosphoryl]oxymethyl]-5-methyloxolan-3-yl] methyl phosphate;methanol.

Molecular Properties

• Compound Name: [(2R)-2-[[[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]propoxy]-oxidophosphoryl]oxymethyl]-5-methyloxolan-3-yl] methyl phosphate;methanol
• PubChem CID: 157336934
• Molecular Formula: C62H119NO41P5-5
• Molecular Weight: 1689.47 g/mol
• Exact Mass: 1688.60
• IUPAC Name: [(2R)-2-[[[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]propoxy]-oxidophosphoryl]oxymethyl]-5-methyloxolan-3-yl] methyl phosphate;methanol
• SMILES: CO.COP(=O)([O-])OC1CC(C)O[C@@H]1COP(=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/C61H120NO40P5.CH4O/c1-42-33-46(102-103(73,74)83-5)50(98-42)37-96-107(81,82)97-41-61(38-84-21-18-30-93-104(75,76)90-27-15-9-6-12-24-87-58-43(2)52(67)54(69)47(34-63)99-58,39-85-22-19-31-94-105(77,78)91-28-16-10-7-13-25-88-59-44(3)53(68)55(70)48(35-64)100-59)40-86-23-20-32-95-106(79,80)92-29-17-11-8-14-26-89-60-51(62-45(4)66)57(72)56(71)49(36-65)101-60;1-2/h42-44,46-60,63-65,67-72H,6-41H2,1-5H3,(H,62,66)(H,73,74)(H,75,76)(H,77,78)(H,79,80)(H,81,82);2H,1H3/p-5/t42?,43?,44?,46?,47?,48?,49?,50-,51?,52-,53-,54+,55+,56+,57-,58-,59-,60-,61?;/m1./s1
• InChIKey: BFYDDCCGQXZSPL-ZHJJFKAASA-I
• XLogP: -1.69
• TPSA: 616.65 Ų
• H-Bond Donors: 11
• H-Bond Acceptors: 41
• Rotatable Bonds: 61
• Heavy Atoms: 109
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1689.47
LogP ≤ 5	-1.69
H-Bond Donors ≤ 5	11
H-Bond Acceptors ≤ 10	41

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 [(2R)-2-[[[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]propoxy]-oxidophosphoryl]oxymethyl]-5-methyloxolan-3-yl] methyl phosphate;methanol?

The IUPAC name of [(2R)-2-[[[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]propoxy]-oxidophosphoryl]oxymethyl]-5-methyloxolan-3-yl] methyl phosphate;methanol (CID 157336934) is [(2R)-2-[[[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]propoxy]-oxidophosphoryl]oxymethyl]-5-methyloxolan-3-yl] methyl phosphate;methanol.

What is the SMILES notation for [(2R)-2-[[[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]propoxy]-oxidophosphoryl]oxymethyl]-5-methyloxolan-3-yl] methyl phosphate;methanol?

The canonical SMILES for [(2R)-2-[[[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]propoxy]-oxidophosphoryl]oxymethyl]-5-methyloxolan-3-yl] methyl phosphate;methanol is CO.COP(=O)([O-])OC1CC(C)O[C@@H]1COP(=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 [(2R)-2-[[[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]propoxy]-oxidophosphoryl]oxymethyl]-5-methyloxolan-3-yl] methyl phosphate;methanol?

The InChIKey is BFYDDCCGQXZSPL-ZHJJFKAASA-I. The full InChI is InChI=1S/C61H120NO40P5.CH4O/c1-42-33-46(102-103(73,74)83-5)50(98-42)37-96-107(81,82)97-41-61(38-84-21-18-30-93-104(75,76)90-27-15-9-6-12-24-87-58-43(2)52(67)54(69)47(34-63)99-58,39-85-22-19-31-94-105(77,78)91-28-16-10-7-13-25-88-59-44(3)53(68)55(70)48(35-64)100-59)40-86-23-20-32-95-106(79,80)92-29-17-11-8-14-26-89-60-51(62-45(4)66)57(72)56(71)49(36-65)101-60;1-2/h42-44,46-60,63-65,67-72H,6-41H2,1-5H3,(H,62,66)(H,73,74)(H,75,76)(H,77,78)(H,79,80)(H,81,82);2H,1H3/p-5/t42?,43?,44?,46?,47?,48?,49?,50-,51?,52-,53-,54+,55+,56+,57-,58-,59-,60-,61?;/m1./s1.

What are the key properties of [(2R)-2-[[[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]propoxy]-oxidophosphoryl]oxymethyl]-5-methyloxolan-3-yl] methyl phosphate;methanol?

[(2R)-2-[[[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]propoxy]-oxidophosphoryl]oxymethyl]-5-methyloxolan-3-yl] methyl phosphate;methanol has a molecular weight of 1689.47 g/mol, XLogP of -1.69, 61 rotatable bonds, 11 hydrogen bond donors, and 41 hydrogen bond acceptors.

Where does this data come from?

All data for [(2R)-2-[[[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]propoxy]-oxidophosphoryl]oxymethyl]-5-methyloxolan-3-yl] methyl phosphate;methanol is sourced from PubChem (CID 157336934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).