(2R,3R,4S,5R,6S)-6-[[(2R,3S,4R,5R,6S)-5-amino-6-[(2S,3R,4S,5S,6R)-2-(2,3-dihydroxypropoxy)-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-3,4-dihydroxyoxan-2-yl]methoxy]-5-[(2S,3R,4R,5S)-5-[(1R)-1,2-dihydroxyethyl]-3,4-dihydroxyoxolan-2-yl]oxy-2-(hydroxymethyl)oxane-3,4-diol

C27H49NO22 — CID 91857413

About (2R,3R,4S,5R,6S)-6-[[(2R,3S,4R,5R,6S)-5-amino-6-[(2S,3R,4S,5S,6R)-2-(2,3-dihydroxypropoxy)-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-3,4-dihydroxyoxan-2-yl]methoxy]-5-[(2S,3R,4R,5S)-5-[(1R)-1,2-dihydroxyethyl]-3,4-dihydroxyoxolan-2-yl]oxy-2-(hydroxymethyl)oxane-3,4-diol

(2R,3R,4S,5R,6S)-6-[[(2R,3S,4R,5R,6S)-5-amino-6-[(2S,3R,4S,5S,6R)-2-(2,3-dihydroxypropoxy)-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-3,4-dihydroxyoxan-2-yl]methoxy]-5-[(2S,3R,4R,5S)-5-[(1R)-1,2-dihydroxyethyl]-3,4-dihydroxyoxolan-2-yl]oxy-2-(hydroxymethyl)oxane-3,4-diol (PubChem CID 91857413) has the molecular formula C27H49NO22 and a molecular weight of 739.67 g/mol. Its IUPAC name is (2R,3R,4S,5R,6S)-6-[[(2R,3S,4R,5R,6S)-5-amino-6-[(2S,3R,4S,5S,6R)-2-(2,3-dihydroxypropoxy)-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-3,4-dihydroxyoxan-2-yl]methoxy]-5-[(2S,3R,4R,5S)-5-[(1R)-1,2-dihydroxyethyl]-3,4-dihydroxyoxolan-2-yl]oxy-2-(hydroxymethyl)oxane-3,4-diol.

Molecular Properties

• Compound Name: (2R,3R,4S,5R,6S)-6-[[(2R,3S,4R,5R,6S)-5-amino-6-[(2S,3R,4S,5S,6R)-2-(2,3-dihydroxypropoxy)-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-3,4-dihydroxyoxan-2-yl]methoxy]-5-[(2S,3R,4R,5S)-5-[(1R)-1,2-dihydroxyethyl]-3,4-dihydroxyoxolan-2-yl]oxy-2-(hydroxymethyl)oxane-3,4-diol
• PubChem CID: 91857413
• Molecular Formula: C27H49NO22
• Molecular Weight: 739.67 g/mol
• Exact Mass: 739.27
• IUPAC Name: (2R,3R,4S,5R,6S)-6-[[(2R,3S,4R,5R,6S)-5-amino-6-[(2S,3R,4S,5S,6R)-2-(2,3-dihydroxypropoxy)-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-3,4-dihydroxyoxan-2-yl]methoxy]-5-[(2S,3R,4R,5S)-5-[(1R)-1,2-dihydroxyethyl]-3,4-dihydroxyoxolan-2-yl]oxy-2-(hydroxymethyl)oxane-3,4-diol
• SMILES: N[C@H]1[C@H](O[C@H]2[C@@H](OCC(O)CO)O[C@H](CO)[C@@H](O)[C@@H]2O)O[C@H](CO[C@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O[C@@H]2O[C@@H]([C@H](O)CO)[C@H](O)[C@H]2O)[C@@H](O)[C@@H]1O
• InChI: InChI=1S/C27H49NO22/c28-12-16(38)15(37)11(47-24(12)49-22-17(39)13(35)9(3-31)45-26(22)43-5-7(33)1-29)6-44-27-23(18(40)14(36)10(4-32)46-27)50-25-20(42)19(41)21(48-25)8(34)2-30/h7-27,29-42H,1-6,28H2/t7?,8-,9-,10-,11-,12-,13-,14+,15-,16-,17+,18+,19-,20-,21+,22-,23-,24+,25+,26+,27+/m1/s1
• InChIKey: MFZYGISVNHWBID-ZZKYNQDXSA-N
• XLogP: -10.40
• TPSA: 383.08 Ų
• H-Bond Donors: 15
• H-Bond Acceptors: 23
• Rotatable Bonds: 15
• Heavy Atoms: 50
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	739.67
LogP ≤ 5	-10.40
H-Bond Donors ≤ 5	15
H-Bond Acceptors ≤ 10	23

Frequently Asked Questions

What is the IUPAC name of (2R,3R,4S,5R,6S)-6-[[(2R,3S,4R,5R,6S)-5-amino-6-[(2S,3R,4S,5S,6R)-2-(2,3-dihydroxypropoxy)-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-3,4-dihydroxyoxan-2-yl]methoxy]-5-[(2S,3R,4R,5S)-5-[(1R)-1,2-dihydroxyethyl]-3,4-dihydroxyoxolan-2-yl]oxy-2-(hydroxymethyl)oxane-3,4-diol?

The IUPAC name of (2R,3R,4S,5R,6S)-6-[[(2R,3S,4R,5R,6S)-5-amino-6-[(2S,3R,4S,5S,6R)-2-(2,3-dihydroxypropoxy)-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-3,4-dihydroxyoxan-2-yl]methoxy]-5-[(2S,3R,4R,5S)-5-[(1R)-1,2-dihydroxyethyl]-3,4-dihydroxyoxolan-2-yl]oxy-2-(hydroxymethyl)oxane-3,4-diol (CID 91857413) is (2R,3R,4S,5R,6S)-6-[[(2R,3S,4R,5R,6S)-5-amino-6-[(2S,3R,4S,5S,6R)-2-(2,3-dihydroxypropoxy)-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-3,4-dihydroxyoxan-2-yl]methoxy]-5-[(2S,3R,4R,5S)-5-[(1R)-1,2-dihydroxyethyl]-3,4-dihydroxyoxolan-2-yl]oxy-2-(hydroxymethyl)oxane-3,4-diol.

What is the SMILES notation for (2R,3R,4S,5R,6S)-6-[[(2R,3S,4R,5R,6S)-5-amino-6-[(2S,3R,4S,5S,6R)-2-(2,3-dihydroxypropoxy)-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-3,4-dihydroxyoxan-2-yl]methoxy]-5-[(2S,3R,4R,5S)-5-[(1R)-1,2-dihydroxyethyl]-3,4-dihydroxyoxolan-2-yl]oxy-2-(hydroxymethyl)oxane-3,4-diol?

The canonical SMILES for (2R,3R,4S,5R,6S)-6-[[(2R,3S,4R,5R,6S)-5-amino-6-[(2S,3R,4S,5S,6R)-2-(2,3-dihydroxypropoxy)-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-3,4-dihydroxyoxan-2-yl]methoxy]-5-[(2S,3R,4R,5S)-5-[(1R)-1,2-dihydroxyethyl]-3,4-dihydroxyoxolan-2-yl]oxy-2-(hydroxymethyl)oxane-3,4-diol is N[C@H]1[C@H](O[C@H]2[C@@H](OCC(O)CO)O[C@H](CO)[C@@H](O)[C@@H]2O)O[C@H](CO[C@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O[C@@H]2O[C@@H]([C@H](O)CO)[C@H](O)[C@H]2O)[C@@H](O)[C@@H]1O.

What is the InChIKey of (2R,3R,4S,5R,6S)-6-[[(2R,3S,4R,5R,6S)-5-amino-6-[(2S,3R,4S,5S,6R)-2-(2,3-dihydroxypropoxy)-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-3,4-dihydroxyoxan-2-yl]methoxy]-5-[(2S,3R,4R,5S)-5-[(1R)-1,2-dihydroxyethyl]-3,4-dihydroxyoxolan-2-yl]oxy-2-(hydroxymethyl)oxane-3,4-diol?

The InChIKey is MFZYGISVNHWBID-ZZKYNQDXSA-N. The full InChI is InChI=1S/C27H49NO22/c28-12-16(38)15(37)11(47-24(12)49-22-17(39)13(35)9(3-31)45-26(22)43-5-7(33)1-29)6-44-27-23(18(40)14(36)10(4-32)46-27)50-25-20(42)19(41)21(48-25)8(34)2-30/h7-27,29-42H,1-6,28H2/t7?,8-,9-,10-,11-,12-,13-,14+,15-,16-,17+,18+,19-,20-,21+,22-,23-,24+,25+,26+,27+/m1/s1.

What are the key properties of (2R,3R,4S,5R,6S)-6-[[(2R,3S,4R,5R,6S)-5-amino-6-[(2S,3R,4S,5S,6R)-2-(2,3-dihydroxypropoxy)-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-3,4-dihydroxyoxan-2-yl]methoxy]-5-[(2S,3R,4R,5S)-5-[(1R)-1,2-dihydroxyethyl]-3,4-dihydroxyoxolan-2-yl]oxy-2-(hydroxymethyl)oxane-3,4-diol?

(2R,3R,4S,5R,6S)-6-[[(2R,3S,4R,5R,6S)-5-amino-6-[(2S,3R,4S,5S,6R)-2-(2,3-dihydroxypropoxy)-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-3,4-dihydroxyoxan-2-yl]methoxy]-5-[(2S,3R,4R,5S)-5-[(1R)-1,2-dihydroxyethyl]-3,4-dihydroxyoxolan-2-yl]oxy-2-(hydroxymethyl)oxane-3,4-diol has a molecular weight of 739.67 g/mol, XLogP of -10.40, 15 rotatable bonds, 15 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for (2R,3R,4S,5R,6S)-6-[[(2R,3S,4R,5R,6S)-5-amino-6-[(2S,3R,4S,5S,6R)-2-(2,3-dihydroxypropoxy)-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-3,4-dihydroxyoxan-2-yl]methoxy]-5-[(2S,3R,4R,5S)-5-[(1R)-1,2-dihydroxyethyl]-3,4-dihydroxyoxolan-2-yl]oxy-2-(hydroxymethyl)oxane-3,4-diol is sourced from PubChem (CID 91857413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).