(2S,3R,4R,5S,6R)-5-[(2S,3S,4S,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy-2-dodecoxy-6-(hydroxymethyl)oxane-3,4-diol

C24H46O11 — CID 101365215

About (2S,3R,4R,5S,6R)-5-[(2S,3S,4S,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy-2-dodecoxy-6-(hydroxymethyl)oxane-3,4-diol

(2S,3R,4R,5S,6R)-5-[(2S,3S,4S,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy-2-dodecoxy-6-(hydroxymethyl)oxane-3,4-diol (PubChem CID 101365215) has the molecular formula C24H46O11 and a molecular weight of 510.62 g/mol. Its IUPAC name is (2S,3R,4R,5S,6R)-5-[(2S,3S,4S,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy-2-dodecoxy-6-(hydroxymethyl)oxane-3,4-diol.

Molecular Properties

• Compound Name: (2S,3R,4R,5S,6R)-5-[(2S,3S,4S,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy-2-dodecoxy-6-(hydroxymethyl)oxane-3,4-diol
• PubChem CID: 101365215
• Molecular Formula: C24H46O11
• Molecular Weight: 510.62 g/mol
• Exact Mass: 510.30
• IUPAC Name: (2S,3R,4R,5S,6R)-5-[(2S,3S,4S,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy-2-dodecoxy-6-(hydroxymethyl)oxane-3,4-diol
• SMILES: CCCCCCCCCCCCO[C@H]1O[C@H](CO)[C@@H](O[C@]2(CO)O[C@H](CO)[C@@H](O)[C@@H]2O)[C@H](O)[C@H]1O
• InChI: InChI=1S/C24H46O11/c1-2-3-4-5-6-7-8-9-10-11-12-32-23-20(30)19(29)21(17(14-26)33-23)35-24(15-27)22(31)18(28)16(13-25)34-24/h16-23,25-31H,2-15H2,1H3/t16-,17-,18-,19-,20-,21-,22+,23+,24+/m1/s1
• InChIKey: ZDEZQQTYMWOPFF-YPYCETJPSA-N
• XLogP: -0.45
• TPSA: 178.53 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 11
• Rotatable Bonds: 17
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	510.62
LogP ≤ 5	-0.45
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

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

Frequently Asked Questions

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

The IUPAC name of (2S,3R,4R,5S,6R)-5-[(2S,3S,4S,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy-2-dodecoxy-6-(hydroxymethyl)oxane-3,4-diol (CID 101365215) is (2S,3R,4R,5S,6R)-5-[(2S,3S,4S,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy-2-dodecoxy-6-(hydroxymethyl)oxane-3,4-diol.

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

The canonical SMILES for (2S,3R,4R,5S,6R)-5-[(2S,3S,4S,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy-2-dodecoxy-6-(hydroxymethyl)oxane-3,4-diol is CCCCCCCCCCCCO[C@H]1O[C@H](CO)[C@@H](O[C@]2(CO)O[C@H](CO)[C@@H](O)[C@@H]2O)[C@H](O)[C@H]1O.

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

The InChIKey is ZDEZQQTYMWOPFF-YPYCETJPSA-N. The full InChI is InChI=1S/C24H46O11/c1-2-3-4-5-6-7-8-9-10-11-12-32-23-20(30)19(29)21(17(14-26)33-23)35-24(15-27)22(31)18(28)16(13-25)34-24/h16-23,25-31H,2-15H2,1H3/t16-,17-,18-,19-,20-,21-,22+,23+,24+/m1/s1.

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

(2S,3R,4R,5S,6R)-5-[(2S,3S,4S,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy-2-dodecoxy-6-(hydroxymethyl)oxane-3,4-diol has a molecular weight of 510.62 g/mol, XLogP of -0.45, 17 rotatable bonds, 7 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for (2S,3R,4R,5S,6R)-5-[(2S,3S,4S,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy-2-dodecoxy-6-(hydroxymethyl)oxane-3,4-diol is sourced from PubChem (CID 101365215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).