N-[5-[3-acetamido-5-[3-acetamido-4-hydroxy-6-(hydroxymethyl)-5-methyloxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,4-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide

C25H43N3O15 — CID 165377984

About N-[5-[3-acetamido-5-[3-acetamido-4-hydroxy-6-(hydroxymethyl)-5-methyloxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,4-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide

N-[5-[3-acetamido-5-[3-acetamido-4-hydroxy-6-(hydroxymethyl)-5-methyloxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,4-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide (PubChem CID 165377984) has the molecular formula C25H43N3O15 and a molecular weight of 625.62 g/mol. Its IUPAC name is N-[5-[3-acetamido-5-[3-acetamido-4-hydroxy-6-(hydroxymethyl)-5-methyloxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,4-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide.

Molecular Properties

• Compound Name: N-[5-[3-acetamido-5-[3-acetamido-4-hydroxy-6-(hydroxymethyl)-5-methyloxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,4-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
• PubChem CID: 165377984
• Molecular Formula: C25H43N3O15
• Molecular Weight: 625.62 g/mol
• Exact Mass: 625.27
• IUPAC Name: N-[5-[3-acetamido-5-[3-acetamido-4-hydroxy-6-(hydroxymethyl)-5-methyloxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,4-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
• SMILES: CC(=O)NC1C(O)OC(CO)C(OC2OC(CO)C(OC3OC(CO)C(C)C(O)C3NC(C)=O)C(O)C2NC(C)=O)C1O
• InChI: InChI=1S/C25H43N3O15/c1-8-12(5-29)40-24(16(18(8)35)27-10(3)33)43-22-14(7-31)41-25(17(20(22)37)28-11(4)34)42-21-13(6-30)39-23(38)15(19(21)36)26-9(2)32/h8,12-25,29-31,35-38H,5-7H2,1-4H3,(H,26,32)(H,27,33)(H,28,34)
• InChIKey: DMBPHDBEROJIAI-UHFFFAOYSA-N
• XLogP: -5.87
• TPSA: 275.06 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 15
• Rotatable Bonds: 10
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	625.62
LogP ≤ 5	-5.87
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	15

Frequently Asked Questions

What is the IUPAC name of N-[5-[3-acetamido-5-[3-acetamido-4-hydroxy-6-(hydroxymethyl)-5-methyloxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,4-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide?

The IUPAC name of N-[5-[3-acetamido-5-[3-acetamido-4-hydroxy-6-(hydroxymethyl)-5-methyloxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,4-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide (CID 165377984) is N-[5-[3-acetamido-5-[3-acetamido-4-hydroxy-6-(hydroxymethyl)-5-methyloxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,4-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide.

What is the SMILES notation for N-[5-[3-acetamido-5-[3-acetamido-4-hydroxy-6-(hydroxymethyl)-5-methyloxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,4-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide?

The canonical SMILES for N-[5-[3-acetamido-5-[3-acetamido-4-hydroxy-6-(hydroxymethyl)-5-methyloxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,4-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide is CC(=O)NC1C(O)OC(CO)C(OC2OC(CO)C(OC3OC(CO)C(C)C(O)C3NC(C)=O)C(O)C2NC(C)=O)C1O.

What is the InChIKey of N-[5-[3-acetamido-5-[3-acetamido-4-hydroxy-6-(hydroxymethyl)-5-methyloxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,4-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide?

The InChIKey is DMBPHDBEROJIAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H43N3O15/c1-8-12(5-29)40-24(16(18(8)35)27-10(3)33)43-22-14(7-31)41-25(17(20(22)37)28-11(4)34)42-21-13(6-30)39-23(38)15(19(21)36)26-9(2)32/h8,12-25,29-31,35-38H,5-7H2,1-4H3,(H,26,32)(H,27,33)(H,28,34).

What are the key properties of N-[5-[3-acetamido-5-[3-acetamido-4-hydroxy-6-(hydroxymethyl)-5-methyloxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,4-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide?

N-[5-[3-acetamido-5-[3-acetamido-4-hydroxy-6-(hydroxymethyl)-5-methyloxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,4-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide has a molecular weight of 625.62 g/mol, XLogP of -5.87, 10 rotatable bonds, 10 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-[3-acetamido-5-[3-acetamido-4-hydroxy-6-(hydroxymethyl)-5-methyloxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,4-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide is sourced from PubChem (CID 165377984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).