(2S,3R,4S,5R,6R)-2-[(2R,3S,4R,5R,6S)-4,5-dihydroxy-2-(hydroxymethyl)-6-[2-(2-octadecoxyethoxy)ethylsulfanyl]oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol

C34H66O12S — CID 10974510

About (2S,3R,4S,5R,6R)-2-[(2R,3S,4R,5R,6S)-4,5-dihydroxy-2-(hydroxymethyl)-6-[2-(2-octadecoxyethoxy)ethylsulfanyl]oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol

(2S,3R,4S,5R,6R)-2-[(2R,3S,4R,5R,6S)-4,5-dihydroxy-2-(hydroxymethyl)-6-[2-(2-octadecoxyethoxy)ethylsulfanyl]oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol (PubChem CID 10974510) has the molecular formula C34H66O12S and a molecular weight of 698.96 g/mol. Its IUPAC name is (2S,3R,4S,5R,6R)-2-[(2R,3S,4R,5R,6S)-4,5-dihydroxy-2-(hydroxymethyl)-6-[2-(2-octadecoxyethoxy)ethylsulfanyl]oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol.

Molecular Properties

• Compound Name: (2S,3R,4S,5R,6R)-2-[(2R,3S,4R,5R,6S)-4,5-dihydroxy-2-(hydroxymethyl)-6-[2-(2-octadecoxyethoxy)ethylsulfanyl]oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
• PubChem CID: 10974510
• Molecular Formula: C34H66O12S
• Molecular Weight: 698.96 g/mol
• Exact Mass: 698.43
• IUPAC Name: (2S,3R,4S,5R,6R)-2-[(2R,3S,4R,5R,6S)-4,5-dihydroxy-2-(hydroxymethyl)-6-[2-(2-octadecoxyethoxy)ethylsulfanyl]oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
• SMILES: CCCCCCCCCCCCCCCCCCOCCOCCS[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O
• InChI: InChI=1S/C34H66O12S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-42-19-20-43-21-22-47-34-31(41)29(39)32(26(24-36)45-34)46-33-30(40)28(38)27(37)25(23-35)44-33/h25-41H,2-24H2,1H3/t25-,26-,27+,28+,29-,30-,31-,32-,33+,34+/m1/s1
• InChIKey: WACPEYZOKOVAOP-FXLVKQAVSA-N
• XLogP: 2.64
• TPSA: 187.76 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 13
• Rotatable Bonds: 28
• Heavy Atoms: 47
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	698.96
LogP ≤ 5	2.64
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	13

Computed Properties (RDKit)

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

Frequently Asked Questions

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

The IUPAC name of (2S,3R,4S,5R,6R)-2-[(2R,3S,4R,5R,6S)-4,5-dihydroxy-2-(hydroxymethyl)-6-[2-(2-octadecoxyethoxy)ethylsulfanyl]oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol (CID 10974510) is (2S,3R,4S,5R,6R)-2-[(2R,3S,4R,5R,6S)-4,5-dihydroxy-2-(hydroxymethyl)-6-[2-(2-octadecoxyethoxy)ethylsulfanyl]oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol.

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

The canonical SMILES for (2S,3R,4S,5R,6R)-2-[(2R,3S,4R,5R,6S)-4,5-dihydroxy-2-(hydroxymethyl)-6-[2-(2-octadecoxyethoxy)ethylsulfanyl]oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol is CCCCCCCCCCCCCCCCCCOCCOCCS[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O.

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

The InChIKey is WACPEYZOKOVAOP-FXLVKQAVSA-N. The full InChI is InChI=1S/C34H66O12S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-42-19-20-43-21-22-47-34-31(41)29(39)32(26(24-36)45-34)46-33-30(40)28(38)27(37)25(23-35)44-33/h25-41H,2-24H2,1H3/t25-,26-,27+,28+,29-,30-,31-,32-,33+,34+/m1/s1.

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

(2S,3R,4S,5R,6R)-2-[(2R,3S,4R,5R,6S)-4,5-dihydroxy-2-(hydroxymethyl)-6-[2-(2-octadecoxyethoxy)ethylsulfanyl]oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol has a molecular weight of 698.96 g/mol, XLogP of 2.64, 28 rotatable bonds, 7 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for (2S,3R,4S,5R,6R)-2-[(2R,3S,4R,5R,6S)-4,5-dihydroxy-2-(hydroxymethyl)-6-[2-(2-octadecoxyethoxy)ethylsulfanyl]oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol is sourced from PubChem (CID 10974510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).