(2S,3R,4S,5S,6R)-2-[(2R,3R,4S,5S)-2-[(E)-hex-2-enoxy]-4,5-dihydroxyoxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol

C17H30O10 — CID 5318043

About (2S,3R,4S,5S,6R)-2-[(2R,3R,4S,5S)-2-[(E)-hex-2-enoxy]-4,5-dihydroxyoxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol

(2S,3R,4S,5S,6R)-2-[(2R,3R,4S,5S)-2-[(E)-hex-2-enoxy]-4,5-dihydroxyoxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol (PubChem CID 5318043) has the molecular formula C17H30O10 and a molecular weight of 394.42 g/mol. Its IUPAC name is (2S,3R,4S,5S,6R)-2-[(2R,3R,4S,5S)-2-[(E)-hex-2-enoxy]-4,5-dihydroxyoxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol.

Molecular Properties

• Compound Name: (2S,3R,4S,5S,6R)-2-[(2R,3R,4S,5S)-2-[(E)-hex-2-enoxy]-4,5-dihydroxyoxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
• PubChem CID: 5318043
• Molecular Formula: C17H30O10
• Molecular Weight: 394.42 g/mol
• Exact Mass: 394.18
• IUPAC Name: (2S,3R,4S,5S,6R)-2-[(2R,3R,4S,5S)-2-[(E)-hex-2-enoxy]-4,5-dihydroxyoxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
• SMILES: CCC/C=C/CO[C@@H]1OC[C@H](O)[C@H](O)[C@H]1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
• InChI: InChI=1S/C17H30O10/c1-2-3-4-5-6-24-17-15(11(20)9(19)8-25-17)27-16-14(23)13(22)12(21)10(7-18)26-16/h4-5,9-23H,2-3,6-8H2,1H3/b5-4+/t9-,10+,11-,12+,13-,14+,15+,16-,17+/m0/s1
• InChIKey: MOOXSHZEQJWTJN-XVZOQXCRSA-N
• XLogP: -2.38
• TPSA: 158.30 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 10
• Rotatable Bonds: 8
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	394.42
LogP ≤ 5	-2.38
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 (2S,3R,4S,5S,6R)-2-[(2R,3R,4S,5S)-2-[(E)-hex-2-enoxy]-4,5-dihydroxyoxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol?

The IUPAC name of (2S,3R,4S,5S,6R)-2-[(2R,3R,4S,5S)-2-[(E)-hex-2-enoxy]-4,5-dihydroxyoxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol (CID 5318043) is (2S,3R,4S,5S,6R)-2-[(2R,3R,4S,5S)-2-[(E)-hex-2-enoxy]-4,5-dihydroxyoxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol.

What is the SMILES notation for (2S,3R,4S,5S,6R)-2-[(2R,3R,4S,5S)-2-[(E)-hex-2-enoxy]-4,5-dihydroxyoxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol?

The canonical SMILES for (2S,3R,4S,5S,6R)-2-[(2R,3R,4S,5S)-2-[(E)-hex-2-enoxy]-4,5-dihydroxyoxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol is CCC/C=C/CO[C@@H]1OC[C@H](O)[C@H](O)[C@H]1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O.

What is the InChIKey of (2S,3R,4S,5S,6R)-2-[(2R,3R,4S,5S)-2-[(E)-hex-2-enoxy]-4,5-dihydroxyoxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol?

The InChIKey is MOOXSHZEQJWTJN-XVZOQXCRSA-N. The full InChI is InChI=1S/C17H30O10/c1-2-3-4-5-6-24-17-15(11(20)9(19)8-25-17)27-16-14(23)13(22)12(21)10(7-18)26-16/h4-5,9-23H,2-3,6-8H2,1H3/b5-4+/t9-,10+,11-,12+,13-,14+,15+,16-,17+/m0/s1.

What are the key properties of (2S,3R,4S,5S,6R)-2-[(2R,3R,4S,5S)-2-[(E)-hex-2-enoxy]-4,5-dihydroxyoxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol?

(2S,3R,4S,5S,6R)-2-[(2R,3R,4S,5S)-2-[(E)-hex-2-enoxy]-4,5-dihydroxyoxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol has a molecular weight of 394.42 g/mol, XLogP of -2.38, 8 rotatable bonds, 6 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for (2S,3R,4S,5S,6R)-2-[(2R,3R,4S,5S)-2-[(E)-hex-2-enoxy]-4,5-dihydroxyoxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol is sourced from PubChem (CID 5318043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).