(2R,5R)-2-[(3R,5R,6R)-5-[2-(2-ethoxyethoxy)ethoxy]-6-[(3S,6R)-6-[(3R,5R,6R)-6-[(3R,6R)-6-[(3R,5R,6S)-5-(2-ethoxyethoxy)-4-hydroxy-2-[2-(2-hydroxyethoxy)ethoxymethyl]-6-methoxyoxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)-5-methoxyoxan-3-yl]oxy-2-(ethoxymethyl)-4-hydroxy-5-[2-(2-methoxyethoxy)ethoxy]oxan-3-yl]oxy-2-(2-ethoxyethoxymethyl)-5-(2-hydroxyethoxy)-4-methoxyoxan-3-yl]oxy-4-hydroxy-2-[2-(2-methoxyethoxy)ethoxymethyl]oxan-3-yl]oxy-5-[(2R,3R,5R)-3-(2-ethoxyethoxy)-4-hydroxy-6-[2-(2-hydroxyethoxy)ethoxymethyl]-5-methoxyoxan-2-yl]oxy-6-(hydroxymethyl)oxane-3,4-diol

C86H160O50 — CID 130278872

About (2R,5R)-2-[(3R,5R,6R)-5-[2-(2-ethoxyethoxy)ethoxy]-6-[(3S,6R)-6-[(3R,5R,6R)-6-[(3R,6R)-6-[(3R,5R,6S)-5-(2-ethoxyethoxy)-4-hydroxy-2-[2-(2-hydroxyethoxy)ethoxymethyl]-6-methoxyoxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)-5-methoxyoxan-3-yl]oxy-2-(ethoxymethyl)-4-hydroxy-5-[2-(2-methoxyethoxy)ethoxy]oxan-3-yl]oxy-2-(2-ethoxyethoxymethyl)-5-(2-hydroxyethoxy)-4-methoxyoxan-3-yl]oxy-4-hydroxy-2-[2-(2-methoxyethoxy)ethoxymethyl]oxan-3-yl]oxy-5-[(2R,3R,5R)-3-(2-ethoxyethoxy)-4-hydroxy-6-[2-(2-hydroxyethoxy)ethoxymethyl]-5-methoxyoxan-2-yl]oxy-6-(hydroxymethyl)oxane-3,4-diol

(2R,5R)-2-[(3R,5R,6R)-5-[2-(2-ethoxyethoxy)ethoxy]-6-[(3S,6R)-6-[(3R,5R,6R)-6-[(3R,6R)-6-[(3R,5R,6S)-5-(2-ethoxyethoxy)-4-hydroxy-2-[2-(2-hydroxyethoxy)ethoxymethyl]-6-methoxyoxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)-5-methoxyoxan-3-yl]oxy-2-(ethoxymethyl)-4-hydroxy-5-[2-(2-methoxyethoxy)ethoxy]oxan-3-yl]oxy-2-(2-ethoxyethoxymethyl)-5-(2-hydroxyethoxy)-4-methoxyoxan-3-yl]oxy-4-hydroxy-2-[2-(2-methoxyethoxy)ethoxymethyl]oxan-3-yl]oxy-5-[(2R,3R,5R)-3-(2-ethoxyethoxy)-4-hydroxy-6-[2-(2-hydroxyethoxy)ethoxymethyl]-5-methoxyoxan-2-yl]oxy-6-(hydroxymethyl)oxane-3,4-diol (PubChem CID 130278872) has the molecular formula C86H160O50 and a molecular weight of 1994.18 g/mol. Its IUPAC name is (2R,5R)-2-[(3R,5R,6R)-5-[2-(2-ethoxyethoxy)ethoxy]-6-[(3S,6R)-6-[(3R,5R,6R)-6-[(3R,6R)-6-[(3R,5R,6S)-5-(2-ethoxyethoxy)-4-hydroxy-2-[2-(2-hydroxyethoxy)ethoxymethyl]-6-methoxyoxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)-5-methoxyoxan-3-yl]oxy-2-(ethoxymethyl)-4-hydroxy-5-[2-(2-methoxyethoxy)ethoxy]oxan-3-yl]oxy-2-(2-ethoxyethoxymethyl)-5-(2-hydroxyethoxy)-4-methoxyoxan-3-yl]oxy-4-hydroxy-2-[2-(2-methoxyethoxy)ethoxymethyl]oxan-3-yl]oxy-5-[(2R,3R,5R)-3-(2-ethoxyethoxy)-4-hydroxy-6-[2-(2-hydroxyethoxy)ethoxymethyl]-5-methoxyoxan-2-yl]oxy-6-(hydroxymethyl)oxane-3,4-diol.

Molecular Properties

• Compound Name: (2R,5R)-2-[(3R,5R,6R)-5-[2-(2-ethoxyethoxy)ethoxy]-6-[(3S,6R)-6-[(3R,5R,6R)-6-[(3R,6R)-6-[(3R,5R,6S)-5-(2-ethoxyethoxy)-4-hydroxy-2-[2-(2-hydroxyethoxy)ethoxymethyl]-6-methoxyoxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)-5-methoxyoxan-3-yl]oxy-2-(ethoxymethyl)-4-hydroxy-5-[2-(2-methoxyethoxy)ethoxy]oxan-3-yl]oxy-2-(2-ethoxyethoxymethyl)-5-(2-hydroxyethoxy)-4-methoxyoxan-3-yl]oxy-4-hydroxy-2-[2-(2-methoxyethoxy)ethoxymethyl]oxan-3-yl]oxy-5-[(2R,3R,5R)-3-(2-ethoxyethoxy)-4-hydroxy-6-[2-(2-hydroxyethoxy)ethoxymethyl]-5-methoxyoxan-2-yl]oxy-6-(hydroxymethyl)oxane-3,4-diol
• PubChem CID: 130278872
• Molecular Formula: C86H160O50
• Molecular Weight: 1994.18 g/mol
• Exact Mass: 1993.00
• IUPAC Name: (2R,5R)-2-[(3R,5R,6R)-5-[2-(2-ethoxyethoxy)ethoxy]-6-[(3S,6R)-6-[(3R,5R,6R)-6-[(3R,6R)-6-[(3R,5R,6S)-5-(2-ethoxyethoxy)-4-hydroxy-2-[2-(2-hydroxyethoxy)ethoxymethyl]-6-methoxyoxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)-5-methoxyoxan-3-yl]oxy-2-(ethoxymethyl)-4-hydroxy-5-[2-(2-methoxyethoxy)ethoxy]oxan-3-yl]oxy-2-(2-ethoxyethoxymethyl)-5-(2-hydroxyethoxy)-4-methoxyoxan-3-yl]oxy-4-hydroxy-2-[2-(2-methoxyethoxy)ethoxymethyl]oxan-3-yl]oxy-5-[(2R,3R,5R)-3-(2-ethoxyethoxy)-4-hydroxy-6-[2-(2-hydroxyethoxy)ethoxymethyl]-5-methoxyoxan-2-yl]oxy-6-(hydroxymethyl)oxane-3,4-diol
• SMILES: CCOCCOCCO[C@@H]1C(O)[C@@H](O[C@H]2OC(CO)[C@H](O[C@H]3OC(COCCOCCO)[C@H](OC)C(O)[C@H]3OCCOCC)C(O)C2O)C(COCCOCCOC)O[C@@H]1O[C@H]1C(COCCOCC)O[C@H](O[C@H]2C(COCC)O[C@H](O[C@H]3C(CO)O[C@H](O[C@H]4C(COCCOCCO)O[C@H](OC)[C@H](OCCOCC)C4O)C(OC)C3O)[C@H](OCCOCCOC)C2O)C(OCCO)C1OC
• InChI: InChI=1S/C86H160O50/c1-12-105-27-29-114-40-44-123-77-64(97)69(131-80-60(93)59(92)67(52(45-90)124-80)132-83-75(121-42-38-108-15-4)61(94)66(101-8)54(127-83)48-116-34-30-110-20-17-87)57(50-118-36-32-112-25-23-99-6)129-85(77)136-72-58(51-115-33-28-106-13-2)130-86(79(78(72)103-10)119-22-19-89)135-70-55(47-109-16-5)128-84(76(65(70)98)122-43-39-113-26-24-100-7)133-68-53(46-91)125-82(73(102-9)62(68)95)134-71-56(49-117-35-31-111-21-18-88)126-81(104-11)74(63(71)96)120-41-37-107-14-3/h52-98H,12-51H2,1-11H3/t52?,53?,54?,55?,56?,57?,58?,59?,60?,61?,62?,63?,64?,65?,66-,67-,68-,69-,70-,71-,72-,73?,74+,75+,76+,77+,78?,79?,80+,81-,82+,83+,84+,85+,86+/m0/s1
• InChIKey: CLUZJZBDBCMPOU-IXSCSZDFSA-N
• XLogP: -6.90
• TPSA: 593.50 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 50
• Rotatable Bonds: 77
• Heavy Atoms: 136
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1994.18
LogP ≤ 5	-6.90
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	50

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (2R,5R)-2-[(3R,5R,6R)-5-[2-(2-ethoxyethoxy)ethoxy]-6-[(3S,6R)-6-[(3R,5R,6R)-6-[(3R,6R)-6-[(3R,5R,6S)-5-(2-ethoxyethoxy)-4-hydroxy-2-[2-(2-hydroxyethoxy)ethoxymethyl]-6-methoxyoxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)-5-methoxyoxan-3-yl]oxy-2-(ethoxymethyl)-4-hydroxy-5-[2-(2-methoxyethoxy)ethoxy]oxan-3-yl]oxy-2-(2-ethoxyethoxymethyl)-5-(2-hydroxyethoxy)-4-methoxyoxan-3-yl]oxy-4-hydroxy-2-[2-(2-methoxyethoxy)ethoxymethyl]oxan-3-yl]oxy-5-[(2R,3R,5R)-3-(2-ethoxyethoxy)-4-hydroxy-6-[2-(2-hydroxyethoxy)ethoxymethyl]-5-methoxyoxan-2-yl]oxy-6-(hydroxymethyl)oxane-3,4-diol?

The IUPAC name of (2R,5R)-2-[(3R,5R,6R)-5-[2-(2-ethoxyethoxy)ethoxy]-6-[(3S,6R)-6-[(3R,5R,6R)-6-[(3R,6R)-6-[(3R,5R,6S)-5-(2-ethoxyethoxy)-4-hydroxy-2-[2-(2-hydroxyethoxy)ethoxymethyl]-6-methoxyoxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)-5-methoxyoxan-3-yl]oxy-2-(ethoxymethyl)-4-hydroxy-5-[2-(2-methoxyethoxy)ethoxy]oxan-3-yl]oxy-2-(2-ethoxyethoxymethyl)-5-(2-hydroxyethoxy)-4-methoxyoxan-3-yl]oxy-4-hydroxy-2-[2-(2-methoxyethoxy)ethoxymethyl]oxan-3-yl]oxy-5-[(2R,3R,5R)-3-(2-ethoxyethoxy)-4-hydroxy-6-[2-(2-hydroxyethoxy)ethoxymethyl]-5-methoxyoxan-2-yl]oxy-6-(hydroxymethyl)oxane-3,4-diol (CID 130278872) is (2R,5R)-2-[(3R,5R,6R)-5-[2-(2-ethoxyethoxy)ethoxy]-6-[(3S,6R)-6-[(3R,5R,6R)-6-[(3R,6R)-6-[(3R,5R,6S)-5-(2-ethoxyethoxy)-4-hydroxy-2-[2-(2-hydroxyethoxy)ethoxymethyl]-6-methoxyoxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)-5-methoxyoxan-3-yl]oxy-2-(ethoxymethyl)-4-hydroxy-5-[2-(2-methoxyethoxy)ethoxy]oxan-3-yl]oxy-2-(2-ethoxyethoxymethyl)-5-(2-hydroxyethoxy)-4-methoxyoxan-3-yl]oxy-4-hydroxy-2-[2-(2-methoxyethoxy)ethoxymethyl]oxan-3-yl]oxy-5-[(2R,3R,5R)-3-(2-ethoxyethoxy)-4-hydroxy-6-[2-(2-hydroxyethoxy)ethoxymethyl]-5-methoxyoxan-2-yl]oxy-6-(hydroxymethyl)oxane-3,4-diol.

What is the SMILES notation for (2R,5R)-2-[(3R,5R,6R)-5-[2-(2-ethoxyethoxy)ethoxy]-6-[(3S,6R)-6-[(3R,5R,6R)-6-[(3R,6R)-6-[(3R,5R,6S)-5-(2-ethoxyethoxy)-4-hydroxy-2-[2-(2-hydroxyethoxy)ethoxymethyl]-6-methoxyoxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)-5-methoxyoxan-3-yl]oxy-2-(ethoxymethyl)-4-hydroxy-5-[2-(2-methoxyethoxy)ethoxy]oxan-3-yl]oxy-2-(2-ethoxyethoxymethyl)-5-(2-hydroxyethoxy)-4-methoxyoxan-3-yl]oxy-4-hydroxy-2-[2-(2-methoxyethoxy)ethoxymethyl]oxan-3-yl]oxy-5-[(2R,3R,5R)-3-(2-ethoxyethoxy)-4-hydroxy-6-[2-(2-hydroxyethoxy)ethoxymethyl]-5-methoxyoxan-2-yl]oxy-6-(hydroxymethyl)oxane-3,4-diol?

The canonical SMILES for (2R,5R)-2-[(3R,5R,6R)-5-[2-(2-ethoxyethoxy)ethoxy]-6-[(3S,6R)-6-[(3R,5R,6R)-6-[(3R,6R)-6-[(3R,5R,6S)-5-(2-ethoxyethoxy)-4-hydroxy-2-[2-(2-hydroxyethoxy)ethoxymethyl]-6-methoxyoxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)-5-methoxyoxan-3-yl]oxy-2-(ethoxymethyl)-4-hydroxy-5-[2-(2-methoxyethoxy)ethoxy]oxan-3-yl]oxy-2-(2-ethoxyethoxymethyl)-5-(2-hydroxyethoxy)-4-methoxyoxan-3-yl]oxy-4-hydroxy-2-[2-(2-methoxyethoxy)ethoxymethyl]oxan-3-yl]oxy-5-[(2R,3R,5R)-3-(2-ethoxyethoxy)-4-hydroxy-6-[2-(2-hydroxyethoxy)ethoxymethyl]-5-methoxyoxan-2-yl]oxy-6-(hydroxymethyl)oxane-3,4-diol is CCOCCOCCO[C@@H]1C(O)[C@@H](O[C@H]2OC(CO)[C@H](O[C@H]3OC(COCCOCCO)[C@H](OC)C(O)[C@H]3OCCOCC)C(O)C2O)C(COCCOCCOC)O[C@@H]1O[C@H]1C(COCCOCC)O[C@H](O[C@H]2C(COCC)O[C@H](O[C@H]3C(CO)O[C@H](O[C@H]4C(COCCOCCO)O[C@H](OC)[C@H](OCCOCC)C4O)C(OC)C3O)[C@H](OCCOCCOC)C2O)C(OCCO)C1OC.

What is the InChIKey of (2R,5R)-2-[(3R,5R,6R)-5-[2-(2-ethoxyethoxy)ethoxy]-6-[(3S,6R)-6-[(3R,5R,6R)-6-[(3R,6R)-6-[(3R,5R,6S)-5-(2-ethoxyethoxy)-4-hydroxy-2-[2-(2-hydroxyethoxy)ethoxymethyl]-6-methoxyoxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)-5-methoxyoxan-3-yl]oxy-2-(ethoxymethyl)-4-hydroxy-5-[2-(2-methoxyethoxy)ethoxy]oxan-3-yl]oxy-2-(2-ethoxyethoxymethyl)-5-(2-hydroxyethoxy)-4-methoxyoxan-3-yl]oxy-4-hydroxy-2-[2-(2-methoxyethoxy)ethoxymethyl]oxan-3-yl]oxy-5-[(2R,3R,5R)-3-(2-ethoxyethoxy)-4-hydroxy-6-[2-(2-hydroxyethoxy)ethoxymethyl]-5-methoxyoxan-2-yl]oxy-6-(hydroxymethyl)oxane-3,4-diol?

The InChIKey is CLUZJZBDBCMPOU-IXSCSZDFSA-N. The full InChI is InChI=1S/C86H160O50/c1-12-105-27-29-114-40-44-123-77-64(97)69(131-80-60(93)59(92)67(52(45-90)124-80)132-83-75(121-42-38-108-15-4)61(94)66(101-8)54(127-83)48-116-34-30-110-20-17-87)57(50-118-36-32-112-25-23-99-6)129-85(77)136-72-58(51-115-33-28-106-13-2)130-86(79(78(72)103-10)119-22-19-89)135-70-55(47-109-16-5)128-84(76(65(70)98)122-43-39-113-26-24-100-7)133-68-53(46-91)125-82(73(102-9)62(68)95)134-71-56(49-117-35-31-111-21-18-88)126-81(104-11)74(63(71)96)120-41-37-107-14-3/h52-98H,12-51H2,1-11H3/t52?,53?,54?,55?,56?,57?,58?,59?,60?,61?,62?,63?,64?,65?,66-,67-,68-,69-,70-,71-,72-,73?,74+,75+,76+,77+,78?,79?,80+,81-,82+,83+,84+,85+,86+/m0/s1.

What are the key properties of (2R,5R)-2-[(3R,5R,6R)-5-[2-(2-ethoxyethoxy)ethoxy]-6-[(3S,6R)-6-[(3R,5R,6R)-6-[(3R,6R)-6-[(3R,5R,6S)-5-(2-ethoxyethoxy)-4-hydroxy-2-[2-(2-hydroxyethoxy)ethoxymethyl]-6-methoxyoxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)-5-methoxyoxan-3-yl]oxy-2-(ethoxymethyl)-4-hydroxy-5-[2-(2-methoxyethoxy)ethoxy]oxan-3-yl]oxy-2-(2-ethoxyethoxymethyl)-5-(2-hydroxyethoxy)-4-methoxyoxan-3-yl]oxy-4-hydroxy-2-[2-(2-methoxyethoxy)ethoxymethyl]oxan-3-yl]oxy-5-[(2R,3R,5R)-3-(2-ethoxyethoxy)-4-hydroxy-6-[2-(2-hydroxyethoxy)ethoxymethyl]-5-methoxyoxan-2-yl]oxy-6-(hydroxymethyl)oxane-3,4-diol?

(2R,5R)-2-[(3R,5R,6R)-5-[2-(2-ethoxyethoxy)ethoxy]-6-[(3S,6R)-6-[(3R,5R,6R)-6-[(3R,6R)-6-[(3R,5R,6S)-5-(2-ethoxyethoxy)-4-hydroxy-2-[2-(2-hydroxyethoxy)ethoxymethyl]-6-methoxyoxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)-5-methoxyoxan-3-yl]oxy-2-(ethoxymethyl)-4-hydroxy-5-[2-(2-methoxyethoxy)ethoxy]oxan-3-yl]oxy-2-(2-ethoxyethoxymethyl)-5-(2-hydroxyethoxy)-4-methoxyoxan-3-yl]oxy-4-hydroxy-2-[2-(2-methoxyethoxy)ethoxymethyl]oxan-3-yl]oxy-5-[(2R,3R,5R)-3-(2-ethoxyethoxy)-4-hydroxy-6-[2-(2-hydroxyethoxy)ethoxymethyl]-5-methoxyoxan-2-yl]oxy-6-(hydroxymethyl)oxane-3,4-diol has a molecular weight of 1994.18 g/mol, XLogP of -6.90, 77 rotatable bonds, 12 hydrogen bond donors, and 50 hydrogen bond acceptors.

Where does this data come from?

All data for (2R,5R)-2-[(3R,5R,6R)-5-[2-(2-ethoxyethoxy)ethoxy]-6-[(3S,6R)-6-[(3R,5R,6R)-6-[(3R,6R)-6-[(3R,5R,6S)-5-(2-ethoxyethoxy)-4-hydroxy-2-[2-(2-hydroxyethoxy)ethoxymethyl]-6-methoxyoxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)-5-methoxyoxan-3-yl]oxy-2-(ethoxymethyl)-4-hydroxy-5-[2-(2-methoxyethoxy)ethoxy]oxan-3-yl]oxy-2-(2-ethoxyethoxymethyl)-5-(2-hydroxyethoxy)-4-methoxyoxan-3-yl]oxy-4-hydroxy-2-[2-(2-methoxyethoxy)ethoxymethyl]oxan-3-yl]oxy-5-[(2R,3R,5R)-3-(2-ethoxyethoxy)-4-hydroxy-6-[2-(2-hydroxyethoxy)ethoxymethyl]-5-methoxyoxan-2-yl]oxy-6-(hydroxymethyl)oxane-3,4-diol is sourced from PubChem (CID 130278872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).