N-[(2S,3R,4R,5R,6R)-4-[(2R,4R,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5-hydroxy-6-(hydroxymethyl)-2-prop-2-enoxyoxan-3-yl]acetamide

C17H29NO10 — CID 122222960

About N-[(2S,3R,4R,5R,6R)-4-[(2R,4R,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5-hydroxy-6-(hydroxymethyl)-2-prop-2-enoxyoxan-3-yl]acetamide

N-[(2S,3R,4R,5R,6R)-4-[(2R,4R,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5-hydroxy-6-(hydroxymethyl)-2-prop-2-enoxyoxan-3-yl]acetamide (PubChem CID 122222960) has the molecular formula C17H29NO10 and a molecular weight of 407.42 g/mol. Its IUPAC name is N-[(2S,3R,4R,5R,6R)-4-[(2R,4R,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5-hydroxy-6-(hydroxymethyl)-2-prop-2-enoxyoxan-3-yl]acetamide.

Molecular Properties

• Compound Name: N-[(2S,3R,4R,5R,6R)-4-[(2R,4R,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5-hydroxy-6-(hydroxymethyl)-2-prop-2-enoxyoxan-3-yl]acetamide
• PubChem CID: 122222960
• Molecular Formula: C17H29NO10
• Molecular Weight: 407.42 g/mol
• Exact Mass: 407.18
• IUPAC Name: N-[(2S,3R,4R,5R,6R)-4-[(2R,4R,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5-hydroxy-6-(hydroxymethyl)-2-prop-2-enoxyoxan-3-yl]acetamide
• SMILES: C=CCO[C@H]1O[C@H](CO)[C@H](O)[C@H](O[C@H]2C[C@@H](O)[C@@H](O)[C@@H](CO)O2)[C@H]1NC(C)=O
• InChI: InChI=1S/C17H29NO10/c1-3-4-25-17-13(18-8(2)21)16(15(24)11(7-20)27-17)28-12-5-9(22)14(23)10(6-19)26-12/h3,9-17,19-20,22-24H,1,4-7H2,2H3,(H,18,21)/t9-,10-,11-,12+,13-,14-,15+,16-,17+/m1/s1
• InChIKey: KFTRYCSVFZQMRH-KYIGCVARSA-N
• XLogP: -3.01
• TPSA: 167.17 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 10
• Rotatable Bonds: 8
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	407.42
LogP ≤ 5	-3.01
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

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

Frequently Asked Questions

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

The IUPAC name of N-[(2S,3R,4R,5R,6R)-4-[(2R,4R,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5-hydroxy-6-(hydroxymethyl)-2-prop-2-enoxyoxan-3-yl]acetamide (CID 122222960) is N-[(2S,3R,4R,5R,6R)-4-[(2R,4R,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5-hydroxy-6-(hydroxymethyl)-2-prop-2-enoxyoxan-3-yl]acetamide.

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

The canonical SMILES for N-[(2S,3R,4R,5R,6R)-4-[(2R,4R,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5-hydroxy-6-(hydroxymethyl)-2-prop-2-enoxyoxan-3-yl]acetamide is C=CCO[C@H]1O[C@H](CO)[C@H](O)[C@H](O[C@H]2C[C@@H](O)[C@@H](O)[C@@H](CO)O2)[C@H]1NC(C)=O.

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

The InChIKey is KFTRYCSVFZQMRH-KYIGCVARSA-N. The full InChI is InChI=1S/C17H29NO10/c1-3-4-25-17-13(18-8(2)21)16(15(24)11(7-20)27-17)28-12-5-9(22)14(23)10(6-19)26-12/h3,9-17,19-20,22-24H,1,4-7H2,2H3,(H,18,21)/t9-,10-,11-,12+,13-,14-,15+,16-,17+/m1/s1.

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

N-[(2S,3R,4R,5R,6R)-4-[(2R,4R,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5-hydroxy-6-(hydroxymethyl)-2-prop-2-enoxyoxan-3-yl]acetamide has a molecular weight of 407.42 g/mol, XLogP of -3.01, 8 rotatable bonds, 6 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(2S,3R,4R,5R,6R)-4-[(2R,4R,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5-hydroxy-6-(hydroxymethyl)-2-prop-2-enoxyoxan-3-yl]acetamide is sourced from PubChem (CID 122222960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).