[(2R,3R,4R,5R,6R)-5-acetamido-3,4-diacetyloxy-6-[2-[2-[2-[2-(1,3-dihydroxypropan-2-ylamino)-2-oxoethoxy]ethoxy]ethoxy]ethoxy]oxan-2-yl]methyl acetate

C25H42N2O15 — CID 138632710

About [(2R,3R,4R,5R,6R)-5-acetamido-3,4-diacetyloxy-6-[2-[2-[2-[2-(1,3-dihydroxypropan-2-ylamino)-2-oxoethoxy]ethoxy]ethoxy]ethoxy]oxan-2-yl]methyl acetate

[(2R,3R,4R,5R,6R)-5-acetamido-3,4-diacetyloxy-6-[2-[2-[2-[2-(1,3-dihydroxypropan-2-ylamino)-2-oxoethoxy]ethoxy]ethoxy]ethoxy]oxan-2-yl]methyl acetate (PubChem CID 138632710) has the molecular formula C25H42N2O15 and a molecular weight of 610.61 g/mol. Its IUPAC name is [(2R,3R,4R,5R,6R)-5-acetamido-3,4-diacetyloxy-6-[2-[2-[2-[2-(1,3-dihydroxypropan-2-ylamino)-2-oxoethoxy]ethoxy]ethoxy]ethoxy]oxan-2-yl]methyl acetate.

Molecular Properties

• Compound Name: [(2R,3R,4R,5R,6R)-5-acetamido-3,4-diacetyloxy-6-[2-[2-[2-[2-(1,3-dihydroxypropan-2-ylamino)-2-oxoethoxy]ethoxy]ethoxy]ethoxy]oxan-2-yl]methyl acetate
• PubChem CID: 138632710
• Molecular Formula: C25H42N2O15
• Molecular Weight: 610.61 g/mol
• Exact Mass: 610.26
• IUPAC Name: [(2R,3R,4R,5R,6R)-5-acetamido-3,4-diacetyloxy-6-[2-[2-[2-[2-(1,3-dihydroxypropan-2-ylamino)-2-oxoethoxy]ethoxy]ethoxy]ethoxy]oxan-2-yl]methyl acetate
• SMILES: CC(=O)N[C@H]1[C@H](OCCOCCOCCOCC(=O)NC(CO)CO)O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@@H]1OC(C)=O
• InChI: InChI=1S/C25H42N2O15/c1-15(30)26-22-24(41-18(4)33)23(40-17(3)32)20(13-39-16(2)31)42-25(22)38-10-9-36-6-5-35-7-8-37-14-21(34)27-19(11-28)12-29/h19-20,22-25,28-29H,5-14H2,1-4H3,(H,26,30)(H,27,34)/t20-,22-,23+,24-,25-/m1/s1
• InChIKey: FLTZZXLDRRCQDD-PRDVQWLOSA-N
• XLogP: -2.82
• TPSA: 223.71 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 15
• Rotatable Bonds: 20
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	610.61
LogP ≤ 5	-2.82
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	15

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [(2R,3R,4R,5R,6R)-5-acetamido-3,4-diacetyloxy-6-[2-[2-[2-[2-(1,3-dihydroxypropan-2-ylamino)-2-oxoethoxy]ethoxy]ethoxy]ethoxy]oxan-2-yl]methyl acetate?

The IUPAC name of [(2R,3R,4R,5R,6R)-5-acetamido-3,4-diacetyloxy-6-[2-[2-[2-[2-(1,3-dihydroxypropan-2-ylamino)-2-oxoethoxy]ethoxy]ethoxy]ethoxy]oxan-2-yl]methyl acetate (CID 138632710) is [(2R,3R,4R,5R,6R)-5-acetamido-3,4-diacetyloxy-6-[2-[2-[2-[2-(1,3-dihydroxypropan-2-ylamino)-2-oxoethoxy]ethoxy]ethoxy]ethoxy]oxan-2-yl]methyl acetate.

What is the SMILES notation for [(2R,3R,4R,5R,6R)-5-acetamido-3,4-diacetyloxy-6-[2-[2-[2-[2-(1,3-dihydroxypropan-2-ylamino)-2-oxoethoxy]ethoxy]ethoxy]ethoxy]oxan-2-yl]methyl acetate?

The canonical SMILES for [(2R,3R,4R,5R,6R)-5-acetamido-3,4-diacetyloxy-6-[2-[2-[2-[2-(1,3-dihydroxypropan-2-ylamino)-2-oxoethoxy]ethoxy]ethoxy]ethoxy]oxan-2-yl]methyl acetate is CC(=O)N[C@H]1[C@H](OCCOCCOCCOCC(=O)NC(CO)CO)O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@@H]1OC(C)=O.

What is the InChIKey of [(2R,3R,4R,5R,6R)-5-acetamido-3,4-diacetyloxy-6-[2-[2-[2-[2-(1,3-dihydroxypropan-2-ylamino)-2-oxoethoxy]ethoxy]ethoxy]ethoxy]oxan-2-yl]methyl acetate?

The InChIKey is FLTZZXLDRRCQDD-PRDVQWLOSA-N. The full InChI is InChI=1S/C25H42N2O15/c1-15(30)26-22-24(41-18(4)33)23(40-17(3)32)20(13-39-16(2)31)42-25(22)38-10-9-36-6-5-35-7-8-37-14-21(34)27-19(11-28)12-29/h19-20,22-25,28-29H,5-14H2,1-4H3,(H,26,30)(H,27,34)/t20-,22-,23+,24-,25-/m1/s1.

What are the key properties of [(2R,3R,4R,5R,6R)-5-acetamido-3,4-diacetyloxy-6-[2-[2-[2-[2-(1,3-dihydroxypropan-2-ylamino)-2-oxoethoxy]ethoxy]ethoxy]ethoxy]oxan-2-yl]methyl acetate?

[(2R,3R,4R,5R,6R)-5-acetamido-3,4-diacetyloxy-6-[2-[2-[2-[2-(1,3-dihydroxypropan-2-ylamino)-2-oxoethoxy]ethoxy]ethoxy]ethoxy]oxan-2-yl]methyl acetate has a molecular weight of 610.61 g/mol, XLogP of -2.82, 20 rotatable bonds, 4 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for [(2R,3R,4R,5R,6R)-5-acetamido-3,4-diacetyloxy-6-[2-[2-[2-[2-(1,3-dihydroxypropan-2-ylamino)-2-oxoethoxy]ethoxy]ethoxy]ethoxy]oxan-2-yl]methyl acetate is sourced from PubChem (CID 138632710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).