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

C36H64N2O29 — CID 156618452

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

(2R,3R,4S,5S,6R)-2-[[(2R,3R,4S,5R,6R)-6-[(2S,3R,4R,5R,6R)-3-amino-2-[(2R,3R,4S,5S,6R)-2-[(2R,3R,4R,5R,6R)-3-amino-2,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-3,5-dihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-4-yl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol (PubChem CID 156618452) has the molecular formula C36H64N2O29 and a molecular weight of 988.89 g/mol. Its IUPAC name is (2R,3R,4S,5S,6R)-2-[[(2R,3R,4S,5R,6R)-6-[(2S,3R,4R,5R,6R)-3-amino-2-[(2R,3R,4S,5S,6R)-2-[(2R,3R,4R,5R,6R)-3-amino-2,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-3,5-dihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-4-yl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol.

Molecular Properties

• Compound Name: (2R,3R,4S,5S,6R)-2-[[(2R,3R,4S,5R,6R)-6-[(2S,3R,4R,5R,6R)-3-amino-2-[(2R,3R,4S,5S,6R)-2-[(2R,3R,4R,5R,6R)-3-amino-2,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-3,5-dihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-4-yl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
• PubChem CID: 156618452
• Molecular Formula: C36H64N2O29
• Molecular Weight: 988.89 g/mol
• Exact Mass: 988.36
• IUPAC Name: (2R,3R,4S,5S,6R)-2-[[(2R,3R,4S,5R,6R)-6-[(2S,3R,4R,5R,6R)-3-amino-2-[(2R,3R,4S,5S,6R)-2-[(2R,3R,4R,5R,6R)-3-amino-2,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-3,5-dihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-4-yl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
• SMILES: N[C@@H]1[C@@H](O[C@@H]2O[C@H](CO[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@H](O)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O[C@@H]4O[C@H](CO[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)[C@H](O)[C@H](O)[C@H]4O)[C@H]3N)[C@H]2O)[C@@H](O)[C@@H](CO)O[C@H]1O
• InChI: InChI=1S/C36H64N2O29/c37-13-28(18(46)9(3-41)59-31(13)56)65-36-27(55)30(20(48)12(64-36)6-58-34-25(53)22(50)16(44)8(2-40)62-34)67-32-14(38)29(19(47)10(4-42)60-32)66-35-26(54)23(51)17(45)11(63-35)5-57-33-24(52)21(49)15(43)7(1-39)61-33/h7-36,39-56H,1-6,37-38H2/t7-,8-,9-,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+/m1/s1
• InChIKey: DKVODHYDQNYYFA-MUOKUPMMSA-N
• XLogP: -14.17
• TPSA: 517.71 Ų
• H-Bond Donors: 20
• H-Bond Acceptors: 31
• Rotatable Bonds: 16
• Heavy Atoms: 67
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	988.89
LogP ≤ 5	-14.17
H-Bond Donors ≤ 5	20
H-Bond Acceptors ≤ 10	31

Frequently Asked Questions

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

The IUPAC name of (2R,3R,4S,5S,6R)-2-[[(2R,3R,4S,5R,6R)-6-[(2S,3R,4R,5R,6R)-3-amino-2-[(2R,3R,4S,5S,6R)-2-[(2R,3R,4R,5R,6R)-3-amino-2,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-3,5-dihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-4-yl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol (CID 156618452) is (2R,3R,4S,5S,6R)-2-[[(2R,3R,4S,5R,6R)-6-[(2S,3R,4R,5R,6R)-3-amino-2-[(2R,3R,4S,5S,6R)-2-[(2R,3R,4R,5R,6R)-3-amino-2,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-3,5-dihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-4-yl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol.

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

The canonical SMILES for (2R,3R,4S,5S,6R)-2-[[(2R,3R,4S,5R,6R)-6-[(2S,3R,4R,5R,6R)-3-amino-2-[(2R,3R,4S,5S,6R)-2-[(2R,3R,4R,5R,6R)-3-amino-2,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-3,5-dihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-4-yl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol is N[C@@H]1[C@@H](O[C@@H]2O[C@H](CO[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@H](O)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O[C@@H]4O[C@H](CO[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)[C@H](O)[C@H](O)[C@H]4O)[C@H]3N)[C@H]2O)[C@@H](O)[C@@H](CO)O[C@H]1O.

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

The InChIKey is DKVODHYDQNYYFA-MUOKUPMMSA-N. The full InChI is InChI=1S/C36H64N2O29/c37-13-28(18(46)9(3-41)59-31(13)56)65-36-27(55)30(20(48)12(64-36)6-58-34-25(53)22(50)16(44)8(2-40)62-34)67-32-14(38)29(19(47)10(4-42)60-32)66-35-26(54)23(51)17(45)11(63-35)5-57-33-24(52)21(49)15(43)7(1-39)61-33/h7-36,39-56H,1-6,37-38H2/t7-,8-,9-,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+/m1/s1.

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

(2R,3R,4S,5S,6R)-2-[[(2R,3R,4S,5R,6R)-6-[(2S,3R,4R,5R,6R)-3-amino-2-[(2R,3R,4S,5S,6R)-2-[(2R,3R,4R,5R,6R)-3-amino-2,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-3,5-dihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-4-yl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol has a molecular weight of 988.89 g/mol, XLogP of -14.17, 16 rotatable bonds, 20 hydrogen bond donors, and 31 hydrogen bond acceptors.

Where does this data come from?

All data for (2R,3R,4S,5S,6R)-2-[[(2R,3R,4S,5R,6R)-6-[(2S,3R,4R,5R,6R)-3-amino-2-[(2R,3R,4S,5S,6R)-2-[(2R,3R,4R,5R,6R)-3-amino-2,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-3,5-dihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-4-yl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol is sourced from PubChem (CID 156618452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).