(2R,4R,5R)-5-amino-2-[[(3R,5S,6S)-6-[(3S,5S,6S)-6-[(2R,5S,6R)-2-[(3R,6S)-2-[[(2S,3R,5S)-4,5-dihydroxy-3-[(2S,5S,6S)-4-hydroxy-6-(hydroxymethyl)-3-methyl-5-[(2S,3S,5R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-3,5-dihydroxy-6-[(3S,5S,6S)-4-hydroxy-6-[(3S,5S,6S)-4-hydroxy-2-(hydroxymethyl)-5,6-dimethyloxan-3-yl]oxy-2-(hydroxymethyl)-5-methyloxan-3-yl]oxyoxan-4-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)-5-methyloxan-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid

C68H117NO48 — CID 129200199

About (2R,4R,5R)-5-amino-2-[[(3R,5S,6S)-6-[(3S,5S,6S)-6-[(2R,5S,6R)-2-[(3R,6S)-2-[[(2S,3R,5S)-4,5-dihydroxy-3-[(2S,5S,6S)-4-hydroxy-6-(hydroxymethyl)-3-methyl-5-[(2S,3S,5R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-3,5-dihydroxy-6-[(3S,5S,6S)-4-hydroxy-6-[(3S,5S,6S)-4-hydroxy-2-(hydroxymethyl)-5,6-dimethyloxan-3-yl]oxy-2-(hydroxymethyl)-5-methyloxan-3-yl]oxyoxan-4-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)-5-methyloxan-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid

(2R,4R,5R)-5-amino-2-[[(3R,5S,6S)-6-[(3S,5S,6S)-6-[(2R,5S,6R)-2-[(3R,6S)-2-[[(2S,3R,5S)-4,5-dihydroxy-3-[(2S,5S,6S)-4-hydroxy-6-(hydroxymethyl)-3-methyl-5-[(2S,3S,5R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-3,5-dihydroxy-6-[(3S,5S,6S)-4-hydroxy-6-[(3S,5S,6S)-4-hydroxy-2-(hydroxymethyl)-5,6-dimethyloxan-3-yl]oxy-2-(hydroxymethyl)-5-methyloxan-3-yl]oxyoxan-4-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)-5-methyloxan-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid (PubChem CID 129200199) has the molecular formula C68H117NO48 and a molecular weight of 1716.64 g/mol. Its IUPAC name is (2R,4R,5R)-5-amino-2-[[(3R,5S,6S)-6-[(3S,5S,6S)-6-[(2R,5S,6R)-2-[(3R,6S)-2-[[(2S,3R,5S)-4,5-dihydroxy-3-[(2S,5S,6S)-4-hydroxy-6-(hydroxymethyl)-3-methyl-5-[(2S,3S,5R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-3,5-dihydroxy-6-[(3S,5S,6S)-4-hydroxy-6-[(3S,5S,6S)-4-hydroxy-2-(hydroxymethyl)-5,6-dimethyloxan-3-yl]oxy-2-(hydroxymethyl)-5-methyloxan-3-yl]oxyoxan-4-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)-5-methyloxan-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid.

Molecular Properties

• Compound Name: (2R,4R,5R)-5-amino-2-[[(3R,5S,6S)-6-[(3S,5S,6S)-6-[(2R,5S,6R)-2-[(3R,6S)-2-[[(2S,3R,5S)-4,5-dihydroxy-3-[(2S,5S,6S)-4-hydroxy-6-(hydroxymethyl)-3-methyl-5-[(2S,3S,5R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-3,5-dihydroxy-6-[(3S,5S,6S)-4-hydroxy-6-[(3S,5S,6S)-4-hydroxy-2-(hydroxymethyl)-5,6-dimethyloxan-3-yl]oxy-2-(hydroxymethyl)-5-methyloxan-3-yl]oxyoxan-4-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)-5-methyloxan-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid
• PubChem CID: 129200199
• Molecular Formula: C68H117NO48
• Molecular Weight: 1716.64 g/mol
• Exact Mass: 1715.67
• IUPAC Name: (2R,4R,5R)-5-amino-2-[[(3R,5S,6S)-6-[(3S,5S,6S)-6-[(2R,5S,6R)-2-[(3R,6S)-2-[[(2S,3R,5S)-4,5-dihydroxy-3-[(2S,5S,6S)-4-hydroxy-6-(hydroxymethyl)-3-methyl-5-[(2S,3S,5R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-3,5-dihydroxy-6-[(3S,5S,6S)-4-hydroxy-6-[(3S,5S,6S)-4-hydroxy-2-(hydroxymethyl)-5,6-dimethyloxan-3-yl]oxy-2-(hydroxymethyl)-5-methyloxan-3-yl]oxyoxan-4-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)-5-methyloxan-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid
• SMILES: CC1C(O)[C@H](O[C@@H]2OC(CO[C@]3(C(=O)O)C[C@@H](O)[C@@H](N)C([C@H](O)[C@H](O)CO)O3)[C@H](O)C(O)[C@@H]2O)C(CO)O[C@H]1OC1C(O)[C@H](O)[C@@H](CO)O[C@@H]1OC1C(O)[C@H](O[C@@H]2C(CO)O[C@@H](O[C@@H]3C(CO)O[C@@H](C)[C@@H](C)C3O)[C@@H](C)C2O)OC(CO[C@H]2OC(CO)[C@@H](O)C(O)[C@H]2O[C@@H]2O[C@@H](CO)[C@@H](O[C@@H]3OC(CO)[C@H](O)C(O)[C@@H]3O)C(O)C2C)[C@H]1O
• InChI: InChI=1S/C68H117NO48/c1-17-21(5)101-27(11-74)51(34(17)80)110-59-18(2)35(81)54(30(14-77)105-59)113-64-50(96)56(43(89)31(108-64)15-99-65-57(46(92)40(86)25(9-72)103-65)115-60-19(3)36(82)52(28(12-75)106-60)111-62-48(94)44(90)39(85)24(8-71)102-62)114-66-58(47(93)41(87)26(10-73)104-66)116-61-20(4)37(83)53(29(13-76)107-61)112-63-49(95)45(91)42(88)32(109-63)16-100-68(67(97)98)6-22(78)33(69)55(117-68)38(84)23(79)7-70/h17-66,70-96H,6-16,69H2,1-5H3,(H,97,98)/t17-,18+,19?,20?,21+,22-,23-,24?,25?,26-,27?,28+,29?,30?,31?,32?,33-,34?,35?,36?,37?,38-,39+,40-,41-,42+,43-,44?,45?,46?,47?,48+,49+,50?,51-,52-,53-,54-,55?,56?,57-,58?,59+,60+,61+,62+,63+,64+,65+,66-,68-/m1/s1
• InChIKey: XVJNDMBZIIIKKI-OURUCRGJSA-N
• XLogP: -17.46
• TPSA: 784.90 Ų
• H-Bond Donors: 29
• H-Bond Acceptors: 48
• Rotatable Bonds: 31
• Heavy Atoms: 117
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1716.64
LogP ≤ 5	-17.46
H-Bond Donors ≤ 5	29
H-Bond Acceptors ≤ 10	48

Frequently Asked Questions

What is the IUPAC name of (2R,4R,5R)-5-amino-2-[[(3R,5S,6S)-6-[(3S,5S,6S)-6-[(2R,5S,6R)-2-[(3R,6S)-2-[[(2S,3R,5S)-4,5-dihydroxy-3-[(2S,5S,6S)-4-hydroxy-6-(hydroxymethyl)-3-methyl-5-[(2S,3S,5R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-3,5-dihydroxy-6-[(3S,5S,6S)-4-hydroxy-6-[(3S,5S,6S)-4-hydroxy-2-(hydroxymethyl)-5,6-dimethyloxan-3-yl]oxy-2-(hydroxymethyl)-5-methyloxan-3-yl]oxyoxan-4-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)-5-methyloxan-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid?

The IUPAC name of (2R,4R,5R)-5-amino-2-[[(3R,5S,6S)-6-[(3S,5S,6S)-6-[(2R,5S,6R)-2-[(3R,6S)-2-[[(2S,3R,5S)-4,5-dihydroxy-3-[(2S,5S,6S)-4-hydroxy-6-(hydroxymethyl)-3-methyl-5-[(2S,3S,5R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-3,5-dihydroxy-6-[(3S,5S,6S)-4-hydroxy-6-[(3S,5S,6S)-4-hydroxy-2-(hydroxymethyl)-5,6-dimethyloxan-3-yl]oxy-2-(hydroxymethyl)-5-methyloxan-3-yl]oxyoxan-4-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)-5-methyloxan-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid (CID 129200199) is (2R,4R,5R)-5-amino-2-[[(3R,5S,6S)-6-[(3S,5S,6S)-6-[(2R,5S,6R)-2-[(3R,6S)-2-[[(2S,3R,5S)-4,5-dihydroxy-3-[(2S,5S,6S)-4-hydroxy-6-(hydroxymethyl)-3-methyl-5-[(2S,3S,5R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-3,5-dihydroxy-6-[(3S,5S,6S)-4-hydroxy-6-[(3S,5S,6S)-4-hydroxy-2-(hydroxymethyl)-5,6-dimethyloxan-3-yl]oxy-2-(hydroxymethyl)-5-methyloxan-3-yl]oxyoxan-4-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)-5-methyloxan-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid.

What is the SMILES notation for (2R,4R,5R)-5-amino-2-[[(3R,5S,6S)-6-[(3S,5S,6S)-6-[(2R,5S,6R)-2-[(3R,6S)-2-[[(2S,3R,5S)-4,5-dihydroxy-3-[(2S,5S,6S)-4-hydroxy-6-(hydroxymethyl)-3-methyl-5-[(2S,3S,5R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-3,5-dihydroxy-6-[(3S,5S,6S)-4-hydroxy-6-[(3S,5S,6S)-4-hydroxy-2-(hydroxymethyl)-5,6-dimethyloxan-3-yl]oxy-2-(hydroxymethyl)-5-methyloxan-3-yl]oxyoxan-4-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)-5-methyloxan-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid?

The canonical SMILES for (2R,4R,5R)-5-amino-2-[[(3R,5S,6S)-6-[(3S,5S,6S)-6-[(2R,5S,6R)-2-[(3R,6S)-2-[[(2S,3R,5S)-4,5-dihydroxy-3-[(2S,5S,6S)-4-hydroxy-6-(hydroxymethyl)-3-methyl-5-[(2S,3S,5R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-3,5-dihydroxy-6-[(3S,5S,6S)-4-hydroxy-6-[(3S,5S,6S)-4-hydroxy-2-(hydroxymethyl)-5,6-dimethyloxan-3-yl]oxy-2-(hydroxymethyl)-5-methyloxan-3-yl]oxyoxan-4-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)-5-methyloxan-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid is CC1C(O)[C@H](O[C@@H]2OC(CO[C@]3(C(=O)O)C[C@@H](O)[C@@H](N)C([C@H](O)[C@H](O)CO)O3)[C@H](O)C(O)[C@@H]2O)C(CO)O[C@H]1OC1C(O)[C@H](O)[C@@H](CO)O[C@@H]1OC1C(O)[C@H](O[C@@H]2C(CO)O[C@@H](O[C@@H]3C(CO)O[C@@H](C)[C@@H](C)C3O)[C@@H](C)C2O)OC(CO[C@H]2OC(CO)[C@@H](O)C(O)[C@H]2O[C@@H]2O[C@@H](CO)[C@@H](O[C@@H]3OC(CO)[C@H](O)C(O)[C@@H]3O)C(O)C2C)[C@H]1O.

What is the InChIKey of (2R,4R,5R)-5-amino-2-[[(3R,5S,6S)-6-[(3S,5S,6S)-6-[(2R,5S,6R)-2-[(3R,6S)-2-[[(2S,3R,5S)-4,5-dihydroxy-3-[(2S,5S,6S)-4-hydroxy-6-(hydroxymethyl)-3-methyl-5-[(2S,3S,5R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-3,5-dihydroxy-6-[(3S,5S,6S)-4-hydroxy-6-[(3S,5S,6S)-4-hydroxy-2-(hydroxymethyl)-5,6-dimethyloxan-3-yl]oxy-2-(hydroxymethyl)-5-methyloxan-3-yl]oxyoxan-4-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)-5-methyloxan-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid?

The InChIKey is XVJNDMBZIIIKKI-OURUCRGJSA-N. The full InChI is InChI=1S/C68H117NO48/c1-17-21(5)101-27(11-74)51(34(17)80)110-59-18(2)35(81)54(30(14-77)105-59)113-64-50(96)56(43(89)31(108-64)15-99-65-57(46(92)40(86)25(9-72)103-65)115-60-19(3)36(82)52(28(12-75)106-60)111-62-48(94)44(90)39(85)24(8-71)102-62)114-66-58(47(93)41(87)26(10-73)104-66)116-61-20(4)37(83)53(29(13-76)107-61)112-63-49(95)45(91)42(88)32(109-63)16-100-68(67(97)98)6-22(78)33(69)55(117-68)38(84)23(79)7-70/h17-66,70-96H,6-16,69H2,1-5H3,(H,97,98)/t17-,18+,19?,20?,21+,22-,23-,24?,25?,26-,27?,28+,29?,30?,31?,32?,33-,34?,35?,36?,37?,38-,39+,40-,41-,42+,43-,44?,45?,46?,47?,48+,49+,50?,51-,52-,53-,54-,55?,56?,57-,58?,59+,60+,61+,62+,63+,64+,65+,66-,68-/m1/s1.

What are the key properties of (2R,4R,5R)-5-amino-2-[[(3R,5S,6S)-6-[(3S,5S,6S)-6-[(2R,5S,6R)-2-[(3R,6S)-2-[[(2S,3R,5S)-4,5-dihydroxy-3-[(2S,5S,6S)-4-hydroxy-6-(hydroxymethyl)-3-methyl-5-[(2S,3S,5R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-3,5-dihydroxy-6-[(3S,5S,6S)-4-hydroxy-6-[(3S,5S,6S)-4-hydroxy-2-(hydroxymethyl)-5,6-dimethyloxan-3-yl]oxy-2-(hydroxymethyl)-5-methyloxan-3-yl]oxyoxan-4-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)-5-methyloxan-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid?

(2R,4R,5R)-5-amino-2-[[(3R,5S,6S)-6-[(3S,5S,6S)-6-[(2R,5S,6R)-2-[(3R,6S)-2-[[(2S,3R,5S)-4,5-dihydroxy-3-[(2S,5S,6S)-4-hydroxy-6-(hydroxymethyl)-3-methyl-5-[(2S,3S,5R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-3,5-dihydroxy-6-[(3S,5S,6S)-4-hydroxy-6-[(3S,5S,6S)-4-hydroxy-2-(hydroxymethyl)-5,6-dimethyloxan-3-yl]oxy-2-(hydroxymethyl)-5-methyloxan-3-yl]oxyoxan-4-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)-5-methyloxan-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid has a molecular weight of 1716.64 g/mol, XLogP of -17.46, 31 rotatable bonds, 29 hydrogen bond donors, and 48 hydrogen bond acceptors.

Where does this data come from?

All data for (2R,4R,5R)-5-amino-2-[[(3R,5S,6S)-6-[(3S,5S,6S)-6-[(2R,5S,6R)-2-[(3R,6S)-2-[[(2S,3R,5S)-4,5-dihydroxy-3-[(2S,5S,6S)-4-hydroxy-6-(hydroxymethyl)-3-methyl-5-[(2S,3S,5R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-3,5-dihydroxy-6-[(3S,5S,6S)-4-hydroxy-6-[(3S,5S,6S)-4-hydroxy-2-(hydroxymethyl)-5,6-dimethyloxan-3-yl]oxy-2-(hydroxymethyl)-5-methyloxan-3-yl]oxyoxan-4-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)-5-methyloxan-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid is sourced from PubChem (CID 129200199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).