methyl N-[1-[5-[1,3-bis[[hydroxy-[2-[2-[hydroxy(methoxy)phosphoryl]oxyethoxy]ethoxy]phosphoryl]oxy]propan-2-yloxy-hydroxyphosphoryl]oxypentylamino]-6-(methoxycarbonylamino)-1-oxohexan-2-yl]carbamate

C28H60N3O27P5 — CID 59073482

About methyl N-[1-[5-[1,3-bis[[hydroxy-[2-[2-[hydroxy(methoxy)phosphoryl]oxyethoxy]ethoxy]phosphoryl]oxy]propan-2-yloxy-hydroxyphosphoryl]oxypentylamino]-6-(methoxycarbonylamino)-1-oxohexan-2-yl]carbamate

methyl N-[1-[5-[1,3-bis[[hydroxy-[2-[2-[hydroxy(methoxy)phosphoryl]oxyethoxy]ethoxy]phosphoryl]oxy]propan-2-yloxy-hydroxyphosphoryl]oxypentylamino]-6-(methoxycarbonylamino)-1-oxohexan-2-yl]carbamate (PubChem CID 59073482) has the molecular formula C28H60N3O27P5 and a molecular weight of 1025.65 g/mol. Its IUPAC name is methyl N-[1-[5-[1,3-bis[[hydroxy-[2-[2-[hydroxy(methoxy)phosphoryl]oxyethoxy]ethoxy]phosphoryl]oxy]propan-2-yloxy-hydroxyphosphoryl]oxypentylamino]-6-(methoxycarbonylamino)-1-oxohexan-2-yl]carbamate.

Molecular Properties

• Compound Name: methyl N-[1-[5-[1,3-bis[[hydroxy-[2-[2-[hydroxy(methoxy)phosphoryl]oxyethoxy]ethoxy]phosphoryl]oxy]propan-2-yloxy-hydroxyphosphoryl]oxypentylamino]-6-(methoxycarbonylamino)-1-oxohexan-2-yl]carbamate
• PubChem CID: 59073482
• Molecular Formula: C28H60N3O27P5
• Molecular Weight: 1025.65 g/mol
• Exact Mass: 1025.21
• IUPAC Name: methyl N-[1-[5-[1,3-bis[[hydroxy-[2-[2-[hydroxy(methoxy)phosphoryl]oxyethoxy]ethoxy]phosphoryl]oxy]propan-2-yloxy-hydroxyphosphoryl]oxypentylamino]-6-(methoxycarbonylamino)-1-oxohexan-2-yl]carbamate
• SMILES: COC(=O)NCCCCC(NC(=O)OC)C(=O)NCCCCCOP(=O)(O)OC(COP(=O)(O)OCCOCCOP(=O)(O)OC)COP(=O)(O)OCCOCCOP(=O)(O)OC
• InChI: InChI=1S/C28H60N3O27P5/c1-45-27(33)30-12-8-6-10-25(31-28(34)46-2)26(32)29-11-7-5-9-13-51-63(43,44)58-24(22-56-61(39,40)54-20-16-49-14-18-52-59(35,36)47-3)23-57-62(41,42)55-21-17-50-15-19-53-60(37,38)48-4/h24-25H,5-23H2,1-4H3,(H,29,32)(H,30,33)(H,31,34)(H,35,36)(H,37,38)(H,39,40)(H,41,42)(H,43,44)
• InChIKey: XXHHSPSZKWEUSR-UHFFFAOYSA-N
• XLogP: 1.85
• TPSA: 403.02 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 22
• Rotatable Bonds: 40
• Heavy Atoms: 63
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1025.65
LogP ≤ 5	1.85
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	22

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 methyl N-[1-[5-[1,3-bis[[hydroxy-[2-[2-[hydroxy(methoxy)phosphoryl]oxyethoxy]ethoxy]phosphoryl]oxy]propan-2-yloxy-hydroxyphosphoryl]oxypentylamino]-6-(methoxycarbonylamino)-1-oxohexan-2-yl]carbamate?

The IUPAC name of methyl N-[1-[5-[1,3-bis[[hydroxy-[2-[2-[hydroxy(methoxy)phosphoryl]oxyethoxy]ethoxy]phosphoryl]oxy]propan-2-yloxy-hydroxyphosphoryl]oxypentylamino]-6-(methoxycarbonylamino)-1-oxohexan-2-yl]carbamate (CID 59073482) is methyl N-[1-[5-[1,3-bis[[hydroxy-[2-[2-[hydroxy(methoxy)phosphoryl]oxyethoxy]ethoxy]phosphoryl]oxy]propan-2-yloxy-hydroxyphosphoryl]oxypentylamino]-6-(methoxycarbonylamino)-1-oxohexan-2-yl]carbamate.

What is the SMILES notation for methyl N-[1-[5-[1,3-bis[[hydroxy-[2-[2-[hydroxy(methoxy)phosphoryl]oxyethoxy]ethoxy]phosphoryl]oxy]propan-2-yloxy-hydroxyphosphoryl]oxypentylamino]-6-(methoxycarbonylamino)-1-oxohexan-2-yl]carbamate?

The canonical SMILES for methyl N-[1-[5-[1,3-bis[[hydroxy-[2-[2-[hydroxy(methoxy)phosphoryl]oxyethoxy]ethoxy]phosphoryl]oxy]propan-2-yloxy-hydroxyphosphoryl]oxypentylamino]-6-(methoxycarbonylamino)-1-oxohexan-2-yl]carbamate is COC(=O)NCCCCC(NC(=O)OC)C(=O)NCCCCCOP(=O)(O)OC(COP(=O)(O)OCCOCCOP(=O)(O)OC)COP(=O)(O)OCCOCCOP(=O)(O)OC.

What is the InChIKey of methyl N-[1-[5-[1,3-bis[[hydroxy-[2-[2-[hydroxy(methoxy)phosphoryl]oxyethoxy]ethoxy]phosphoryl]oxy]propan-2-yloxy-hydroxyphosphoryl]oxypentylamino]-6-(methoxycarbonylamino)-1-oxohexan-2-yl]carbamate?

The InChIKey is XXHHSPSZKWEUSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H60N3O27P5/c1-45-27(33)30-12-8-6-10-25(31-28(34)46-2)26(32)29-11-7-5-9-13-51-63(43,44)58-24(22-56-61(39,40)54-20-16-49-14-18-52-59(35,36)47-3)23-57-62(41,42)55-21-17-50-15-19-53-60(37,38)48-4/h24-25H,5-23H2,1-4H3,(H,29,32)(H,30,33)(H,31,34)(H,35,36)(H,37,38)(H,39,40)(H,41,42)(H,43,44).

What are the key properties of methyl N-[1-[5-[1,3-bis[[hydroxy-[2-[2-[hydroxy(methoxy)phosphoryl]oxyethoxy]ethoxy]phosphoryl]oxy]propan-2-yloxy-hydroxyphosphoryl]oxypentylamino]-6-(methoxycarbonylamino)-1-oxohexan-2-yl]carbamate?

methyl N-[1-[5-[1,3-bis[[hydroxy-[2-[2-[hydroxy(methoxy)phosphoryl]oxyethoxy]ethoxy]phosphoryl]oxy]propan-2-yloxy-hydroxyphosphoryl]oxypentylamino]-6-(methoxycarbonylamino)-1-oxohexan-2-yl]carbamate has a molecular weight of 1025.65 g/mol, XLogP of 1.85, 40 rotatable bonds, 8 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for methyl N-[1-[5-[1,3-bis[[hydroxy-[2-[2-[hydroxy(methoxy)phosphoryl]oxyethoxy]ethoxy]phosphoryl]oxy]propan-2-yloxy-hydroxyphosphoryl]oxypentylamino]-6-(methoxycarbonylamino)-1-oxohexan-2-yl]carbamate is sourced from PubChem (CID 59073482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).