(2R,3R,4S,5S,6R)-2-[(2S,3S,4R,5R)-4-hydroxy-3-(2-hydroxydodecoxy)-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol

C24H46O12 — CID 101153632

About (2R,3R,4S,5S,6R)-2-[(2S,3S,4R,5R)-4-hydroxy-3-(2-hydroxydodecoxy)-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol

(2R,3R,4S,5S,6R)-2-[(2S,3S,4R,5R)-4-hydroxy-3-(2-hydroxydodecoxy)-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol (PubChem CID 101153632) has the molecular formula C24H46O12 and a molecular weight of 526.62 g/mol. Its IUPAC name is (2R,3R,4S,5S,6R)-2-[(2S,3S,4R,5R)-4-hydroxy-3-(2-hydroxydodecoxy)-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol.

Molecular Properties

• Compound Name: (2R,3R,4S,5S,6R)-2-[(2S,3S,4R,5R)-4-hydroxy-3-(2-hydroxydodecoxy)-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
• PubChem CID: 101153632
• Molecular Formula: C24H46O12
• Molecular Weight: 526.62 g/mol
• Exact Mass: 526.30
• IUPAC Name: (2R,3R,4S,5S,6R)-2-[(2S,3S,4R,5R)-4-hydroxy-3-(2-hydroxydodecoxy)-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
• SMILES: CCCCCCCCCCC(O)CO[C@H]1[C@H](O)[C@@H](CO)O[C@@]1(CO)O[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
• InChI: InChI=1S/C24H46O12/c1-2-3-4-5-6-7-8-9-10-15(28)13-33-22-19(30)17(12-26)35-24(22,14-27)36-23-21(32)20(31)18(29)16(11-25)34-23/h15-23,25-32H,2-14H2,1H3/t15?,16-,17-,18-,19-,20+,21-,22+,23-,24+/m1/s1
• InChIKey: DSMNOKJUHFKMRP-REBKUFFRSA-N
• XLogP: -1.48
• TPSA: 198.76 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 12
• Rotatable Bonds: 17
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	526.62
LogP ≤ 5	-1.48
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

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

Frequently Asked Questions

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

The IUPAC name of (2R,3R,4S,5S,6R)-2-[(2S,3S,4R,5R)-4-hydroxy-3-(2-hydroxydodecoxy)-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol (CID 101153632) is (2R,3R,4S,5S,6R)-2-[(2S,3S,4R,5R)-4-hydroxy-3-(2-hydroxydodecoxy)-2,5-bis(hydroxymethyl)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,4R,5R)-4-hydroxy-3-(2-hydroxydodecoxy)-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol?

The canonical SMILES for (2R,3R,4S,5S,6R)-2-[(2S,3S,4R,5R)-4-hydroxy-3-(2-hydroxydodecoxy)-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol is CCCCCCCCCCC(O)CO[C@H]1[C@H](O)[C@@H](CO)O[C@@]1(CO)O[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O.

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

The InChIKey is DSMNOKJUHFKMRP-REBKUFFRSA-N. The full InChI is InChI=1S/C24H46O12/c1-2-3-4-5-6-7-8-9-10-15(28)13-33-22-19(30)17(12-26)35-24(22,14-27)36-23-21(32)20(31)18(29)16(11-25)34-23/h15-23,25-32H,2-14H2,1H3/t15?,16-,17-,18-,19-,20+,21-,22+,23-,24+/m1/s1.

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

(2R,3R,4S,5S,6R)-2-[(2S,3S,4R,5R)-4-hydroxy-3-(2-hydroxydodecoxy)-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol has a molecular weight of 526.62 g/mol, XLogP of -1.48, 17 rotatable bonds, 8 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for (2R,3R,4S,5S,6R)-2-[(2S,3S,4R,5R)-4-hydroxy-3-(2-hydroxydodecoxy)-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol is sourced from PubChem (CID 101153632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).