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

C38H66O30 — CID 59038721

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

(2R,5R,6S)-2-[[(2R,3S,6S)-3-[(2S,4S,5S)-5-[(2S,5S,6S)-5-[(2S,4S,5S)-3,4-dihydroxy-6-(hydroxymethyl)-5-methoxyoxan-2-yl]oxy-3,4-dihydroxy-6-[[(2R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4,5-dihydroxy-6-methyloxan-2-yl]oxymethyl]-6-(hydroxymethyl)oxane-3,4,5-triol (PubChem CID 59038721) has the molecular formula C38H66O30 and a molecular weight of 1002.92 g/mol. Its IUPAC name is (2R,5R,6S)-2-[[(2R,3S,6S)-3-[(2S,4S,5S)-5-[(2S,5S,6S)-5-[(2S,4S,5S)-3,4-dihydroxy-6-(hydroxymethyl)-5-methoxyoxan-2-yl]oxy-3,4-dihydroxy-6-[[(2R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4,5-dihydroxy-6-methyloxan-2-yl]oxymethyl]-6-(hydroxymethyl)oxane-3,4,5-triol.

Molecular Properties

• Compound Name: (2R,5R,6S)-2-[[(2R,3S,6S)-3-[(2S,4S,5S)-5-[(2S,5S,6S)-5-[(2S,4S,5S)-3,4-dihydroxy-6-(hydroxymethyl)-5-methoxyoxan-2-yl]oxy-3,4-dihydroxy-6-[[(2R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4,5-dihydroxy-6-methyloxan-2-yl]oxymethyl]-6-(hydroxymethyl)oxane-3,4,5-triol
• PubChem CID: 59038721
• Molecular Formula: C38H66O30
• Molecular Weight: 1002.92 g/mol
• Exact Mass: 1002.36
• IUPAC Name: (2R,5R,6S)-2-[[(2R,3S,6S)-3-[(2S,4S,5S)-5-[(2S,5S,6S)-5-[(2S,4S,5S)-3,4-dihydroxy-6-(hydroxymethyl)-5-methoxyoxan-2-yl]oxy-3,4-dihydroxy-6-[[(2R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4,5-dihydroxy-6-methyloxan-2-yl]oxymethyl]-6-(hydroxymethyl)oxane-3,4,5-triol
• SMILES: CO[C@@H]1C(CO)O[C@@H](O[C@H]2C(O)C(O)[C@H](O[C@@H]3C(CO)O[C@@H](O[C@H]4C(O)C(O)[C@H](C)O[C@H]4OC[C@H]4O[C@@H](CO)[C@H](O)C(O)C4O)C(O)[C@@H]3O)O[C@H]2CO[C@@H]2O[C@@H](CO)[C@H](O)C(O)C2O)C(O)[C@@H]1O
• InChI: InChI=1S/C38H66O30/c1-9-16(43)22(49)33(38(60-9)59-7-14-19(46)20(47)17(44)10(3-39)61-14)68-36-28(55)24(51)31(13(6-42)64-36)66-37-29(56)25(52)32(67-35-27(54)23(50)30(57-2)12(5-41)63-35)15(65-37)8-58-34-26(53)21(48)18(45)11(4-40)62-34/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: OVRPRSODOLTKLJ-CTGRDSMVSA-N
• XLogP: -12.38
• TPSA: 474.90 Ų
• H-Bond Donors: 18
• H-Bond Acceptors: 30
• Rotatable Bonds: 17
• Heavy Atoms: 68
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1002.92
LogP ≤ 5	-12.38
H-Bond Donors ≤ 5	18
H-Bond Acceptors ≤ 10	30

Frequently Asked Questions

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

The IUPAC name of (2R,5R,6S)-2-[[(2R,3S,6S)-3-[(2S,4S,5S)-5-[(2S,5S,6S)-5-[(2S,4S,5S)-3,4-dihydroxy-6-(hydroxymethyl)-5-methoxyoxan-2-yl]oxy-3,4-dihydroxy-6-[[(2R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4,5-dihydroxy-6-methyloxan-2-yl]oxymethyl]-6-(hydroxymethyl)oxane-3,4,5-triol (CID 59038721) is (2R,5R,6S)-2-[[(2R,3S,6S)-3-[(2S,4S,5S)-5-[(2S,5S,6S)-5-[(2S,4S,5S)-3,4-dihydroxy-6-(hydroxymethyl)-5-methoxyoxan-2-yl]oxy-3,4-dihydroxy-6-[[(2R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4,5-dihydroxy-6-methyloxan-2-yl]oxymethyl]-6-(hydroxymethyl)oxane-3,4,5-triol.

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

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

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

The InChIKey is OVRPRSODOLTKLJ-CTGRDSMVSA-N. The full InChI is InChI=1S/C38H66O30/c1-9-16(43)22(49)33(38(60-9)59-7-14-19(46)20(47)17(44)10(3-39)61-14)68-36-28(55)24(51)31(13(6-42)64-36)66-37-29(56)25(52)32(67-35-27(54)23(50)30(57-2)12(5-41)63-35)15(65-37)8-58-34-26(53)21(48)18(45)11(4-40)62-34/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 (2R,5R,6S)-2-[[(2R,3S,6S)-3-[(2S,4S,5S)-5-[(2S,5S,6S)-5-[(2S,4S,5S)-3,4-dihydroxy-6-(hydroxymethyl)-5-methoxyoxan-2-yl]oxy-3,4-dihydroxy-6-[[(2R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4,5-dihydroxy-6-methyloxan-2-yl]oxymethyl]-6-(hydroxymethyl)oxane-3,4,5-triol?

(2R,5R,6S)-2-[[(2R,3S,6S)-3-[(2S,4S,5S)-5-[(2S,5S,6S)-5-[(2S,4S,5S)-3,4-dihydroxy-6-(hydroxymethyl)-5-methoxyoxan-2-yl]oxy-3,4-dihydroxy-6-[[(2R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4,5-dihydroxy-6-methyloxan-2-yl]oxymethyl]-6-(hydroxymethyl)oxane-3,4,5-triol has a molecular weight of 1002.92 g/mol, XLogP of -12.38, 17 rotatable bonds, 18 hydrogen bond donors, and 30 hydrogen bond acceptors.

Where does this data come from?

All data for (2R,5R,6S)-2-[[(2R,3S,6S)-3-[(2S,4S,5S)-5-[(2S,5S,6S)-5-[(2S,4S,5S)-3,4-dihydroxy-6-(hydroxymethyl)-5-methoxyoxan-2-yl]oxy-3,4-dihydroxy-6-[[(2R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4,5-dihydroxy-6-methyloxan-2-yl]oxymethyl]-6-(hydroxymethyl)oxane-3,4,5-triol is sourced from PubChem (CID 59038721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).