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

C38H66O31 — CID 140851175

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

(2S,5R,6S)-2-[[(2S,3S,6R)-6-[(3S,4S,6R)-4,5-dihydroxy-2-(hydroxymethyl)-6-methoxyoxan-3-yl]oxy-3-[(2S,4R,5S)-5-[(2R,5S,6S)-5-[(2S,4R,5S)-3,4-dihydroxy-6-(hydroxymethyl)-5-methoxyoxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4,5-dihydroxyoxan-2-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol (PubChem CID 140851175) has the molecular formula C38H66O31 and a molecular weight of 1018.91 g/mol. Its IUPAC name is (2S,5R,6S)-2-[[(2S,3S,6R)-6-[(3S,4S,6R)-4,5-dihydroxy-2-(hydroxymethyl)-6-methoxyoxan-3-yl]oxy-3-[(2S,4R,5S)-5-[(2R,5S,6S)-5-[(2S,4R,5S)-3,4-dihydroxy-6-(hydroxymethyl)-5-methoxyoxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4,5-dihydroxyoxan-2-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol.

Molecular Properties

• Compound Name: (2S,5R,6S)-2-[[(2S,3S,6R)-6-[(3S,4S,6R)-4,5-dihydroxy-2-(hydroxymethyl)-6-methoxyoxan-3-yl]oxy-3-[(2S,4R,5S)-5-[(2R,5S,6S)-5-[(2S,4R,5S)-3,4-dihydroxy-6-(hydroxymethyl)-5-methoxyoxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4,5-dihydroxyoxan-2-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
• PubChem CID: 140851175
• Molecular Formula: C38H66O31
• Molecular Weight: 1018.91 g/mol
• Exact Mass: 1018.36
• IUPAC Name: (2S,5R,6S)-2-[[(2S,3S,6R)-6-[(3S,4S,6R)-4,5-dihydroxy-2-(hydroxymethyl)-6-methoxyoxan-3-yl]oxy-3-[(2S,4R,5S)-5-[(2R,5S,6S)-5-[(2S,4R,5S)-3,4-dihydroxy-6-(hydroxymethyl)-5-methoxyoxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4,5-dihydroxyoxan-2-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
• SMILES: CO[C@@H]1OC(CO)[C@@H](O[C@H]2O[C@@H](CO[C@H]3O[C@@H](CO)[C@H](O)C(O)C3O)[C@@H](O[C@@H]3OC(CO)[C@@H](O[C@H]4O[C@@H](CO)[C@@H](O[C@@H]5OC(CO)[C@@H](OC)[C@H](O)C5O)C(O)C4O)[C@H](O)C3O)C(O)C2O)[C@@H](O)C1O
• InChI: InChI=1S/C38H66O31/c1-57-28-10(4-40)62-35(24(53)17(28)46)66-30-12(6-42)63-36(25(54)19(30)48)67-31-13(7-43)64-37(26(55)20(31)49)69-32-14(8-59-34-22(51)16(45)15(44)9(3-39)60-34)65-38(27(56)21(32)50)68-29-11(5-41)61-33(58-2)23(52)18(29)47/h9-56H,3-8H2,1-2H3/t9-,10?,11?,12-,13?,14-,15-,16?,17+,18-,19?,20+,21?,22?,23?,24?,25?,26?,27?,28+,29+,30+,31+,32+,33+,34-,35-,36+,37-,38+/m0/s1
• InChIKey: BRNKEAIANOJVAN-XTRDXZKGSA-N
• XLogP: -12.79
• TPSA: 484.13 Ų
• H-Bond Donors: 18
• H-Bond Acceptors: 31
• Rotatable Bonds: 18
• Heavy Atoms: 69
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1018.91
LogP ≤ 5	-12.79
H-Bond Donors ≤ 5	18
H-Bond Acceptors ≤ 10	31

Frequently Asked Questions

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

The IUPAC name of (2S,5R,6S)-2-[[(2S,3S,6R)-6-[(3S,4S,6R)-4,5-dihydroxy-2-(hydroxymethyl)-6-methoxyoxan-3-yl]oxy-3-[(2S,4R,5S)-5-[(2R,5S,6S)-5-[(2S,4R,5S)-3,4-dihydroxy-6-(hydroxymethyl)-5-methoxyoxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4,5-dihydroxyoxan-2-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol (CID 140851175) is (2S,5R,6S)-2-[[(2S,3S,6R)-6-[(3S,4S,6R)-4,5-dihydroxy-2-(hydroxymethyl)-6-methoxyoxan-3-yl]oxy-3-[(2S,4R,5S)-5-[(2R,5S,6S)-5-[(2S,4R,5S)-3,4-dihydroxy-6-(hydroxymethyl)-5-methoxyoxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4,5-dihydroxyoxan-2-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol.

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

The canonical SMILES for (2S,5R,6S)-2-[[(2S,3S,6R)-6-[(3S,4S,6R)-4,5-dihydroxy-2-(hydroxymethyl)-6-methoxyoxan-3-yl]oxy-3-[(2S,4R,5S)-5-[(2R,5S,6S)-5-[(2S,4R,5S)-3,4-dihydroxy-6-(hydroxymethyl)-5-methoxyoxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4,5-dihydroxyoxan-2-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol is CO[C@@H]1OC(CO)[C@@H](O[C@H]2O[C@@H](CO[C@H]3O[C@@H](CO)[C@H](O)C(O)C3O)[C@@H](O[C@@H]3OC(CO)[C@@H](O[C@H]4O[C@@H](CO)[C@@H](O[C@@H]5OC(CO)[C@@H](OC)[C@H](O)C5O)C(O)C4O)[C@H](O)C3O)C(O)C2O)[C@@H](O)C1O.

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

The InChIKey is BRNKEAIANOJVAN-XTRDXZKGSA-N. The full InChI is InChI=1S/C38H66O31/c1-57-28-10(4-40)62-35(24(53)17(28)46)66-30-12(6-42)63-36(25(54)19(30)48)67-31-13(7-43)64-37(26(55)20(31)49)69-32-14(8-59-34-22(51)16(45)15(44)9(3-39)60-34)65-38(27(56)21(32)50)68-29-11(5-41)61-33(58-2)23(52)18(29)47/h9-56H,3-8H2,1-2H3/t9-,10?,11?,12-,13?,14-,15-,16?,17+,18-,19?,20+,21?,22?,23?,24?,25?,26?,27?,28+,29+,30+,31+,32+,33+,34-,35-,36+,37-,38+/m0/s1.

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

(2S,5R,6S)-2-[[(2S,3S,6R)-6-[(3S,4S,6R)-4,5-dihydroxy-2-(hydroxymethyl)-6-methoxyoxan-3-yl]oxy-3-[(2S,4R,5S)-5-[(2R,5S,6S)-5-[(2S,4R,5S)-3,4-dihydroxy-6-(hydroxymethyl)-5-methoxyoxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4,5-dihydroxyoxan-2-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol has a molecular weight of 1018.91 g/mol, XLogP of -12.79, 18 rotatable bonds, 18 hydrogen bond donors, and 31 hydrogen bond acceptors.

Where does this data come from?

All data for (2S,5R,6S)-2-[[(2S,3S,6R)-6-[(3S,4S,6R)-4,5-dihydroxy-2-(hydroxymethyl)-6-methoxyoxan-3-yl]oxy-3-[(2S,4R,5S)-5-[(2R,5S,6S)-5-[(2S,4R,5S)-3,4-dihydroxy-6-(hydroxymethyl)-5-methoxyoxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4,5-dihydroxyoxan-2-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol is sourced from PubChem (CID 140851175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).