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

C41H70O33 — CID 140919641

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

(2R,4S,5R)-2-[[(3S,4R,6R)-3-[(2S,5S,6S)-5-[(2S,4R,5S)-5-[(2S,5S,6S)-3,4-dihydroxy-6-(hydroxymethyl)-5-methoxyoxan-2-yl]oxy-3,4-dihydroxy-6-[[(2R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxymethyl]oxan-2-yl]oxy-3,4-dihydroxy-6-[[(2R,5R)-3,4,5-trihydroxyoxan-2-yl]oxymethyl]oxan-2-yl]oxy-4,5-dihydroxy-6-methoxyoxan-2-yl]methoxy]oxane-3,4,5-triol (PubChem CID 140919641) has the molecular formula C41H70O33 and a molecular weight of 1090.98 g/mol. Its IUPAC name is (2R,4S,5R)-2-[[(3S,4R,6R)-3-[(2S,5S,6S)-5-[(2S,4R,5S)-5-[(2S,5S,6S)-3,4-dihydroxy-6-(hydroxymethyl)-5-methoxyoxan-2-yl]oxy-3,4-dihydroxy-6-[[(2R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxymethyl]oxan-2-yl]oxy-3,4-dihydroxy-6-[[(2R,5R)-3,4,5-trihydroxyoxan-2-yl]oxymethyl]oxan-2-yl]oxy-4,5-dihydroxy-6-methoxyoxan-2-yl]methoxy]oxane-3,4,5-triol.

Molecular Properties

• Compound Name: (2R,4S,5R)-2-[[(3S,4R,6R)-3-[(2S,5S,6S)-5-[(2S,4R,5S)-5-[(2S,5S,6S)-3,4-dihydroxy-6-(hydroxymethyl)-5-methoxyoxan-2-yl]oxy-3,4-dihydroxy-6-[[(2R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxymethyl]oxan-2-yl]oxy-3,4-dihydroxy-6-[[(2R,5R)-3,4,5-trihydroxyoxan-2-yl]oxymethyl]oxan-2-yl]oxy-4,5-dihydroxy-6-methoxyoxan-2-yl]methoxy]oxane-3,4,5-triol
• PubChem CID: 140919641
• Molecular Formula: C41H70O33
• Molecular Weight: 1090.98 g/mol
• Exact Mass: 1090.38
• IUPAC Name: (2R,4S,5R)-2-[[(3S,4R,6R)-3-[(2S,5S,6S)-5-[(2S,4R,5S)-5-[(2S,5S,6S)-3,4-dihydroxy-6-(hydroxymethyl)-5-methoxyoxan-2-yl]oxy-3,4-dihydroxy-6-[[(2R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxymethyl]oxan-2-yl]oxy-3,4-dihydroxy-6-[[(2R,5R)-3,4,5-trihydroxyoxan-2-yl]oxymethyl]oxan-2-yl]oxy-4,5-dihydroxy-6-methoxyoxan-2-yl]methoxy]oxane-3,4,5-triol
• SMILES: CO[C@@H]1OC(CO[C@H]2OC[C@@H](O)[C@H](O)C2O)[C@@H](O[C@@H]2O[C@@H](CO[C@H]3OC[C@@H](O)C(O)C3O)[C@@H](O[C@@H]3OC(CO[C@H]4OC[C@@H](O)[C@H](O)C4O)[C@@H](O[C@@H]4O[C@@H](CO)[C@@H](OC)C(O)C4O)[C@H](O)C3O)C(O)C2O)[C@H](O)C1O
• InChI: InChI=1S/C41H70O33/c1-60-31-13(3-42)68-39(28(57)20(31)49)72-33-15(8-66-37-25(54)18(47)11(44)5-63-37)70-41(29(58)22(33)51)74-34-16(9-67-38-26(55)19(48)12(45)6-64-38)71-40(30(59)23(34)52)73-32-14(69-35(61-2)27(56)21(32)50)7-65-36-24(53)17(46)10(43)4-62-36/h10-59H,3-9H2,1-2H3/t10-,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-,39+,40+,41+/m1/s1
• InChIKey: IMXPNPNZWLWEJL-RVNIYFTLSA-N
• XLogP: -13.05
• TPSA: 502.59 Ų
• H-Bond Donors: 18
• H-Bond Acceptors: 33
• Rotatable Bonds: 18
• Heavy Atoms: 74
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1090.98
LogP ≤ 5	-13.05
H-Bond Donors ≤ 5	18
H-Bond Acceptors ≤ 10	33

Frequently Asked Questions

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

The IUPAC name of (2R,4S,5R)-2-[[(3S,4R,6R)-3-[(2S,5S,6S)-5-[(2S,4R,5S)-5-[(2S,5S,6S)-3,4-dihydroxy-6-(hydroxymethyl)-5-methoxyoxan-2-yl]oxy-3,4-dihydroxy-6-[[(2R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxymethyl]oxan-2-yl]oxy-3,4-dihydroxy-6-[[(2R,5R)-3,4,5-trihydroxyoxan-2-yl]oxymethyl]oxan-2-yl]oxy-4,5-dihydroxy-6-methoxyoxan-2-yl]methoxy]oxane-3,4,5-triol (CID 140919641) is (2R,4S,5R)-2-[[(3S,4R,6R)-3-[(2S,5S,6S)-5-[(2S,4R,5S)-5-[(2S,5S,6S)-3,4-dihydroxy-6-(hydroxymethyl)-5-methoxyoxan-2-yl]oxy-3,4-dihydroxy-6-[[(2R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxymethyl]oxan-2-yl]oxy-3,4-dihydroxy-6-[[(2R,5R)-3,4,5-trihydroxyoxan-2-yl]oxymethyl]oxan-2-yl]oxy-4,5-dihydroxy-6-methoxyoxan-2-yl]methoxy]oxane-3,4,5-triol.

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

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

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

The InChIKey is IMXPNPNZWLWEJL-RVNIYFTLSA-N. The full InChI is InChI=1S/C41H70O33/c1-60-31-13(3-42)68-39(28(57)20(31)49)72-33-15(8-66-37-25(54)18(47)11(44)5-63-37)70-41(29(58)22(33)51)74-34-16(9-67-38-26(55)19(48)12(45)6-64-38)71-40(30(59)23(34)52)73-32-14(69-35(61-2)27(56)21(32)50)7-65-36-24(53)17(46)10(43)4-62-36/h10-59H,3-9H2,1-2H3/t10-,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-,39+,40+,41+/m1/s1.

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

(2R,4S,5R)-2-[[(3S,4R,6R)-3-[(2S,5S,6S)-5-[(2S,4R,5S)-5-[(2S,5S,6S)-3,4-dihydroxy-6-(hydroxymethyl)-5-methoxyoxan-2-yl]oxy-3,4-dihydroxy-6-[[(2R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxymethyl]oxan-2-yl]oxy-3,4-dihydroxy-6-[[(2R,5R)-3,4,5-trihydroxyoxan-2-yl]oxymethyl]oxan-2-yl]oxy-4,5-dihydroxy-6-methoxyoxan-2-yl]methoxy]oxane-3,4,5-triol has a molecular weight of 1090.98 g/mol, XLogP of -13.05, 18 rotatable bonds, 18 hydrogen bond donors, and 33 hydrogen bond acceptors.

Where does this data come from?

All data for (2R,4S,5R)-2-[[(3S,4R,6R)-3-[(2S,5S,6S)-5-[(2S,4R,5S)-5-[(2S,5S,6S)-3,4-dihydroxy-6-(hydroxymethyl)-5-methoxyoxan-2-yl]oxy-3,4-dihydroxy-6-[[(2R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxymethyl]oxan-2-yl]oxy-3,4-dihydroxy-6-[[(2R,5R)-3,4,5-trihydroxyoxan-2-yl]oxymethyl]oxan-2-yl]oxy-4,5-dihydroxy-6-methoxyoxan-2-yl]methoxy]oxane-3,4,5-triol is sourced from PubChem (CID 140919641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).