(2R,3R,4S,5S,6R)-2-[(2S,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)-2-(prop-2-enoxymethyl)oxolan-2-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol

C15H26O11 — CID 22788161

About (2R,3R,4S,5S,6R)-2-[(2S,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)-2-(prop-2-enoxymethyl)oxolan-2-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol

(2R,3R,4S,5S,6R)-2-[(2S,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)-2-(prop-2-enoxymethyl)oxolan-2-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol (PubChem CID 22788161) has the molecular formula C15H26O11 and a molecular weight of 382.36 g/mol. Its IUPAC name is (2R,3R,4S,5S,6R)-2-[(2S,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)-2-(prop-2-enoxymethyl)oxolan-2-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol.

Molecular Properties

• Compound Name: (2R,3R,4S,5S,6R)-2-[(2S,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)-2-(prop-2-enoxymethyl)oxolan-2-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
• PubChem CID: 22788161
• Molecular Formula: C15H26O11
• Molecular Weight: 382.36 g/mol
• Exact Mass: 382.15
• IUPAC Name: (2R,3R,4S,5S,6R)-2-[(2S,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)-2-(prop-2-enoxymethyl)oxolan-2-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
• SMILES: C=CCOC[C@@]1(O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)O[C@H](CO)[C@@H](O)[C@@H]1O
• InChI: InChI=1S/C15H26O11/c1-2-3-23-6-15(13(22)10(19)8(5-17)25-15)26-14-12(21)11(20)9(18)7(4-16)24-14/h2,7-14,16-22H,1,3-6H2/t7-,8-,9-,10-,11+,12-,13+,14-,15+/m1/s1
• InChIKey: DUMOJBFXLNPOEI-UEZCKYPQSA-N
• XLogP: -4.19
• TPSA: 178.53 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 11
• Rotatable Bonds: 8
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	382.36
LogP ≤ 5	-4.19
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (2R,3R,4S,5S,6R)-2-[(2S,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)-2-(prop-2-enoxymethyl)oxolan-2-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol?

The IUPAC name of (2R,3R,4S,5S,6R)-2-[(2S,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)-2-(prop-2-enoxymethyl)oxolan-2-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol (CID 22788161) is (2R,3R,4S,5S,6R)-2-[(2S,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)-2-(prop-2-enoxymethyl)oxolan-2-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol.

What is the SMILES notation for (2R,3R,4S,5S,6R)-2-[(2S,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)-2-(prop-2-enoxymethyl)oxolan-2-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol?

The canonical SMILES for (2R,3R,4S,5S,6R)-2-[(2S,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)-2-(prop-2-enoxymethyl)oxolan-2-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol is C=CCOC[C@@]1(O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)O[C@H](CO)[C@@H](O)[C@@H]1O.

What is the InChIKey of (2R,3R,4S,5S,6R)-2-[(2S,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)-2-(prop-2-enoxymethyl)oxolan-2-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol?

The InChIKey is DUMOJBFXLNPOEI-UEZCKYPQSA-N. The full InChI is InChI=1S/C15H26O11/c1-2-3-23-6-15(13(22)10(19)8(5-17)25-15)26-14-12(21)11(20)9(18)7(4-16)24-14/h2,7-14,16-22H,1,3-6H2/t7-,8-,9-,10-,11+,12-,13+,14-,15+/m1/s1.

What are the key properties of (2R,3R,4S,5S,6R)-2-[(2S,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)-2-(prop-2-enoxymethyl)oxolan-2-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol?

(2R,3R,4S,5S,6R)-2-[(2S,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)-2-(prop-2-enoxymethyl)oxolan-2-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol has a molecular weight of 382.36 g/mol, XLogP of -4.19, 8 rotatable bonds, 7 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for (2R,3R,4S,5S,6R)-2-[(2S,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)-2-(prop-2-enoxymethyl)oxolan-2-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol is sourced from PubChem (CID 22788161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).