(2R)-N-[(2S,3S,4R)-3,4-dihydroxy-6-methyl-1-[(2S,4R,5R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoctan-2-yl]-2-hydroxypropanamide

C18H35NO10 — CID 91511264

About (2R)-N-[(2S,3S,4R)-3,4-dihydroxy-6-methyl-1-[(2S,4R,5R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoctan-2-yl]-2-hydroxypropanamide

(2R)-N-[(2S,3S,4R)-3,4-dihydroxy-6-methyl-1-[(2S,4R,5R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoctan-2-yl]-2-hydroxypropanamide (PubChem CID 91511264) has the molecular formula C18H35NO10 and a molecular weight of 425.48 g/mol. Its IUPAC name is (2R)-N-[(2S,3S,4R)-3,4-dihydroxy-6-methyl-1-[(2S,4R,5R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoctan-2-yl]-2-hydroxypropanamide.

Molecular Properties

• Compound Name: (2R)-N-[(2S,3S,4R)-3,4-dihydroxy-6-methyl-1-[(2S,4R,5R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoctan-2-yl]-2-hydroxypropanamide
• PubChem CID: 91511264
• Molecular Formula: C18H35NO10
• Molecular Weight: 425.48 g/mol
• Exact Mass: 425.23
• IUPAC Name: (2R)-N-[(2S,3S,4R)-3,4-dihydroxy-6-methyl-1-[(2S,4R,5R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoctan-2-yl]-2-hydroxypropanamide
• SMILES: CCC(C)C[C@@H](O)[C@@H](O)[C@H](CO[C@H]1OC(CO)[C@H](O)[C@@H](O)C1O)NC(=O)[C@@H](C)O
• InChI: InChI=1S/C18H35NO10/c1-4-8(2)5-11(22)13(23)10(19-17(27)9(3)21)7-28-18-16(26)15(25)14(24)12(6-20)29-18/h8-16,18,20-26H,4-7H2,1-3H3,(H,19,27)/t8?,9-,10+,11-,12?,13+,14+,15-,16?,18+/m1/s1
• InChIKey: GCSJXXPTLOJBQQ-CRPNLUAXSA-N
• XLogP: -3.17
• TPSA: 189.17 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 10
• Rotatable Bonds: 11
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	425.48
LogP ≤ 5	-3.17
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[(2S,3S,4R)-3,4-dihydroxy-6-methyl-1-[(2S,4R,5R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoctan-2-yl]-2-hydroxypropanamide?

The IUPAC name of (2R)-N-[(2S,3S,4R)-3,4-dihydroxy-6-methyl-1-[(2S,4R,5R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoctan-2-yl]-2-hydroxypropanamide (CID 91511264) is (2R)-N-[(2S,3S,4R)-3,4-dihydroxy-6-methyl-1-[(2S,4R,5R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoctan-2-yl]-2-hydroxypropanamide.

What is the SMILES notation for (2R)-N-[(2S,3S,4R)-3,4-dihydroxy-6-methyl-1-[(2S,4R,5R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoctan-2-yl]-2-hydroxypropanamide?

The canonical SMILES for (2R)-N-[(2S,3S,4R)-3,4-dihydroxy-6-methyl-1-[(2S,4R,5R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoctan-2-yl]-2-hydroxypropanamide is CCC(C)C[C@@H](O)[C@@H](O)[C@H](CO[C@H]1OC(CO)[C@H](O)[C@@H](O)C1O)NC(=O)[C@@H](C)O.

What is the InChIKey of (2R)-N-[(2S,3S,4R)-3,4-dihydroxy-6-methyl-1-[(2S,4R,5R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoctan-2-yl]-2-hydroxypropanamide?

The InChIKey is GCSJXXPTLOJBQQ-CRPNLUAXSA-N. The full InChI is InChI=1S/C18H35NO10/c1-4-8(2)5-11(22)13(23)10(19-17(27)9(3)21)7-28-18-16(26)15(25)14(24)12(6-20)29-18/h8-16,18,20-26H,4-7H2,1-3H3,(H,19,27)/t8?,9-,10+,11-,12?,13+,14+,15-,16?,18+/m1/s1.

What are the key properties of (2R)-N-[(2S,3S,4R)-3,4-dihydroxy-6-methyl-1-[(2S,4R,5R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoctan-2-yl]-2-hydroxypropanamide?

(2R)-N-[(2S,3S,4R)-3,4-dihydroxy-6-methyl-1-[(2S,4R,5R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoctan-2-yl]-2-hydroxypropanamide has a molecular weight of 425.48 g/mol, XLogP of -3.17, 11 rotatable bonds, 8 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for (2R)-N-[(2S,3S,4R)-3,4-dihydroxy-6-methyl-1-[(2S,4R,5R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoctan-2-yl]-2-hydroxypropanamide is sourced from PubChem (CID 91511264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).