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

C19H32N2O10S — CID 11634373

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

N-[(2R,3R,4R,5S,6R)-5-[(2S,3R,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]sulfanyl-4-hydroxy-6-(hydroxymethyl)-2-prop-2-enoxyoxan-3-yl]acetamide (PubChem CID 11634373) has the molecular formula C19H32N2O10S and a molecular weight of 480.54 g/mol. Its IUPAC name is N-[(2R,3R,4R,5S,6R)-5-[(2S,3R,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]sulfanyl-4-hydroxy-6-(hydroxymethyl)-2-prop-2-enoxyoxan-3-yl]acetamide.

Molecular Properties

• Compound Name: N-[(2R,3R,4R,5S,6R)-5-[(2S,3R,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]sulfanyl-4-hydroxy-6-(hydroxymethyl)-2-prop-2-enoxyoxan-3-yl]acetamide
• PubChem CID: 11634373
• Molecular Formula: C19H32N2O10S
• Molecular Weight: 480.54 g/mol
• Exact Mass: 480.18
• IUPAC Name: N-[(2R,3R,4R,5S,6R)-5-[(2S,3R,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]sulfanyl-4-hydroxy-6-(hydroxymethyl)-2-prop-2-enoxyoxan-3-yl]acetamide
• SMILES: C=CCO[C@@H]1O[C@H](CO)[C@@H](S[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2NC(C)=O)[C@H](O)[C@H]1NC(C)=O
• InChI: InChI=1S/C19H32N2O10S/c1-4-5-29-18-12(20-8(2)24)16(28)17(11(7-23)30-18)32-19-13(21-9(3)25)15(27)14(26)10(6-22)31-19/h4,10-19,22-23,26-28H,1,5-7H2,2-3H3,(H,20,24)(H,21,25)/t10-,11-,12-,13-,14-,15-,16-,17-,18-,19+/m1/s1
• InChIKey: NJCCQWVOYIQUNI-HBQZOLMXSA-N
• XLogP: -3.18
• TPSA: 187.04 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 11
• Rotatable Bonds: 9
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	480.54
LogP ≤ 5	-3.18
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

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

Frequently Asked Questions

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

The IUPAC name of N-[(2R,3R,4R,5S,6R)-5-[(2S,3R,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]sulfanyl-4-hydroxy-6-(hydroxymethyl)-2-prop-2-enoxyoxan-3-yl]acetamide (CID 11634373) is N-[(2R,3R,4R,5S,6R)-5-[(2S,3R,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]sulfanyl-4-hydroxy-6-(hydroxymethyl)-2-prop-2-enoxyoxan-3-yl]acetamide.

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

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

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

The InChIKey is NJCCQWVOYIQUNI-HBQZOLMXSA-N. The full InChI is InChI=1S/C19H32N2O10S/c1-4-5-29-18-12(20-8(2)24)16(28)17(11(7-23)30-18)32-19-13(21-9(3)25)15(27)14(26)10(6-22)31-19/h4,10-19,22-23,26-28H,1,5-7H2,2-3H3,(H,20,24)(H,21,25)/t10-,11-,12-,13-,14-,15-,16-,17-,18-,19+/m1/s1.

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

N-[(2R,3R,4R,5S,6R)-5-[(2S,3R,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]sulfanyl-4-hydroxy-6-(hydroxymethyl)-2-prop-2-enoxyoxan-3-yl]acetamide has a molecular weight of 480.54 g/mol, XLogP of -3.18, 9 rotatable bonds, 7 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(2R,3R,4R,5S,6R)-5-[(2S,3R,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]sulfanyl-4-hydroxy-6-(hydroxymethyl)-2-prop-2-enoxyoxan-3-yl]acetamide is sourced from PubChem (CID 11634373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).