[6-[5-acetamido-6-[5-acetamido-6-[5-acetamido-6-[5-acetamido-4,6-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-3-carbamoyloxy-5-[hexadecanoyl(methyl)amino]-4-hydroxyoxan-2-yl]methyl carbamate

C57H99N7O28 — CID 162929061

About [6-[5-acetamido-6-[5-acetamido-6-[5-acetamido-6-[5-acetamido-4,6-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-3-carbamoyloxy-5-[hexadecanoyl(methyl)amino]-4-hydroxyoxan-2-yl]methyl carbamate

[6-[5-acetamido-6-[5-acetamido-6-[5-acetamido-6-[5-acetamido-4,6-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-3-carbamoyloxy-5-[hexadecanoyl(methyl)amino]-4-hydroxyoxan-2-yl]methyl carbamate (PubChem CID 162929061) has the molecular formula C57H99N7O28 and a molecular weight of 1330.44 g/mol. Its IUPAC name is [6-[5-acetamido-6-[5-acetamido-6-[5-acetamido-6-[5-acetamido-4,6-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-3-carbamoyloxy-5-[hexadecanoyl(methyl)amino]-4-hydroxyoxan-2-yl]methyl carbamate.

Molecular Properties

• Compound Name: [6-[5-acetamido-6-[5-acetamido-6-[5-acetamido-6-[5-acetamido-4,6-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-3-carbamoyloxy-5-[hexadecanoyl(methyl)amino]-4-hydroxyoxan-2-yl]methyl carbamate
• PubChem CID: 162929061
• Molecular Formula: C57H99N7O28
• Molecular Weight: 1330.44 g/mol
• Exact Mass: 1329.65
• IUPAC Name: [6-[5-acetamido-6-[5-acetamido-6-[5-acetamido-6-[5-acetamido-4,6-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-3-carbamoyloxy-5-[hexadecanoyl(methyl)amino]-4-hydroxyoxan-2-yl]methyl carbamate
• SMILES: CCCCCCCCCCCCCCCC(=O)N(C)C1C(OC2C(CO)OC(OC3C(CO)OC(OC4C(CO)OC(OC5C(CO)OC(O)C(NC(C)=O)C5O)C(NC(C)=O)C4O)C(NC(C)=O)C3O)C(NC(C)=O)C2O)OC(COC(N)=O)C(OC(N)=O)C1O
• InChI: InChI=1S/C57H99N7O28/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-35(73)64(6)40-45(78)50(92-57(59)81)34(25-82-56(58)80)87-55(40)91-49-33(24-68)86-54(39(44(49)77)63-29(5)72)90-48-32(23-67)85-53(38(43(48)76)62-28(4)71)89-47-31(22-66)84-52(37(42(47)75)61-27(3)70)88-46-30(21-65)83-51(79)36(41(46)74)60-26(2)69/h30-34,36-55,65-68,74-79H,7-25H2,1-6H3,(H2,58,80)(H2,59,81)(H,60,69)(H,61,70)(H,62,71)(H,63,72)
• InChIKey: JXQULEVHBPODIH-UHFFFAOYSA-N
• XLogP: -5.20
• TPSA: 526.72 Ų
• H-Bond Donors: 16
• H-Bond Acceptors: 28
• Rotatable Bonds: 34
• Heavy Atoms: 92
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1330.44
LogP ≤ 5	-5.20
H-Bond Donors ≤ 5	16
H-Bond Acceptors ≤ 10	28

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [6-[5-acetamido-6-[5-acetamido-6-[5-acetamido-6-[5-acetamido-4,6-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-3-carbamoyloxy-5-[hexadecanoyl(methyl)amino]-4-hydroxyoxan-2-yl]methyl carbamate?

The IUPAC name of [6-[5-acetamido-6-[5-acetamido-6-[5-acetamido-6-[5-acetamido-4,6-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-3-carbamoyloxy-5-[hexadecanoyl(methyl)amino]-4-hydroxyoxan-2-yl]methyl carbamate (CID 162929061) is [6-[5-acetamido-6-[5-acetamido-6-[5-acetamido-6-[5-acetamido-4,6-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-3-carbamoyloxy-5-[hexadecanoyl(methyl)amino]-4-hydroxyoxan-2-yl]methyl carbamate.

What is the SMILES notation for [6-[5-acetamido-6-[5-acetamido-6-[5-acetamido-6-[5-acetamido-4,6-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-3-carbamoyloxy-5-[hexadecanoyl(methyl)amino]-4-hydroxyoxan-2-yl]methyl carbamate?

The canonical SMILES for [6-[5-acetamido-6-[5-acetamido-6-[5-acetamido-6-[5-acetamido-4,6-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-3-carbamoyloxy-5-[hexadecanoyl(methyl)amino]-4-hydroxyoxan-2-yl]methyl carbamate is CCCCCCCCCCCCCCCC(=O)N(C)C1C(OC2C(CO)OC(OC3C(CO)OC(OC4C(CO)OC(OC5C(CO)OC(O)C(NC(C)=O)C5O)C(NC(C)=O)C4O)C(NC(C)=O)C3O)C(NC(C)=O)C2O)OC(COC(N)=O)C(OC(N)=O)C1O.

What is the InChIKey of [6-[5-acetamido-6-[5-acetamido-6-[5-acetamido-6-[5-acetamido-4,6-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-3-carbamoyloxy-5-[hexadecanoyl(methyl)amino]-4-hydroxyoxan-2-yl]methyl carbamate?

The InChIKey is JXQULEVHBPODIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H99N7O28/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-35(73)64(6)40-45(78)50(92-57(59)81)34(25-82-56(58)80)87-55(40)91-49-33(24-68)86-54(39(44(49)77)63-29(5)72)90-48-32(23-67)85-53(38(43(48)76)62-28(4)71)89-47-31(22-66)84-52(37(42(47)75)61-27(3)70)88-46-30(21-65)83-51(79)36(41(46)74)60-26(2)69/h30-34,36-55,65-68,74-79H,7-25H2,1-6H3,(H2,58,80)(H2,59,81)(H,60,69)(H,61,70)(H,62,71)(H,63,72).

What are the key properties of [6-[5-acetamido-6-[5-acetamido-6-[5-acetamido-6-[5-acetamido-4,6-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-3-carbamoyloxy-5-[hexadecanoyl(methyl)amino]-4-hydroxyoxan-2-yl]methyl carbamate?

[6-[5-acetamido-6-[5-acetamido-6-[5-acetamido-6-[5-acetamido-4,6-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-3-carbamoyloxy-5-[hexadecanoyl(methyl)amino]-4-hydroxyoxan-2-yl]methyl carbamate has a molecular weight of 1330.44 g/mol, XLogP of -5.20, 34 rotatable bonds, 16 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for [6-[5-acetamido-6-[5-acetamido-6-[5-acetamido-6-[5-acetamido-4,6-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-3-carbamoyloxy-5-[hexadecanoyl(methyl)amino]-4-hydroxyoxan-2-yl]methyl carbamate is sourced from PubChem (CID 162929061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).